Structure of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole (C17H4F26N2O)
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Chemical Formula | C17H4F26N2O |
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Molecular Weight | 746.184943 g/mol |
IUPAC Name | 1-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazol-1-yl]ethan-1-one |
SMILES String | CC(=O)n1nc(cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
InChI | InChI=1S/C17H4F26N2O/c1-3(46)45-5(7(20,21)9(24,25)11(28,29)13(32,33)15(36,37)17(41,42)43)2-4(44-45)6(18,19)8(22,23)10(26,27)12(30,31)14(34,35)16(38,39)40/h2H,1H3 |
InChIKey | IQHPIVLECIKIGS-UHFFFAOYSA-N |
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Chemical Structure Description
A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole molecule contains a total of 50 bond(s). There are 46 non-H bond(s), 6 multiple bond(s), 10 rotatable bond(s), 1 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), and 1 Pyrazole(s). Images of the chemical structure of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole are given below:
The 2D chemical structure image of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.
The 3D chemical structure image of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole. Download structure data file (SDF/MOL) file of this compound.
Interactive 3D Visualization
For a better understanding of the chemical structure, an interactive 3D visualization of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole is provided here.
The 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole molecule can be increased or decreased by scrolling the mouse wheel.
The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.
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- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
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- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
The SMILES string of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole is CC(=O)n1nc(cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole.
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Structure Data File (SDF/MOL File) of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
The structure data file (SDF/MOL File) of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole is available for download in the SDF page of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole, which provides the information about the atoms, bonds, connectivity and coordinates of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole. The 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
The molecular formula of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole is available in chemical formula page of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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Molecular weight of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
The molecular weight of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole is available in molecular weight page of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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Other names (synonyms) or registry numbers of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
The 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole including the various registry numbers, if available:
- 1-[3,5-bis[1,1,2,2,3,3,4,4,5,5,6,6,6-tridecakis(fluoranyl)hexyl]pyrazol-1-yl]ethanone
- 1-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1-pyrazolyl]ethanone
- 1-[3,5-bis(tridecafluorohexyl)pyrazol-1-yl]ethanone
- J-015026
- A816618
- 1-Acetyl-3,5-bis-(tridecafluoro-1-hexyl)pyrazole
- 1-Acetyl-3,5-bis(perfluorohexyl)-1H-pyrazole
- 1-acetyl-3,5-bis(perfluorohex-1-yl)pyrazole
- 1-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrazol-1-yl]ethanone
- MFCD01075244
- 1-acetyl-3,5-bis(tridecafluorohexyl)-1h-pyrazole
- 1-acetyl-3,5-bis(tridecafluoro-1-hexyl)pyrazole
- 231953-34-7
- 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
1-Acetyl-3,5-bis(perfluorohexyl)pyrazole Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole? |
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C17H4F26N2O |
How many atoms and what are the elements included the 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole molecule? |
50 atom(s) - 4 Hydrogen atom(s), 17 Carbon atom(s), 2 Nitrogen atom(s), 1 Oxygen atom(s), and 26 Fluorine atom(s) |
How many chemical bonds and what kind of bonds are included the 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole structure? |
50 bond(s) - 46 non-H bond(s), 6 multiple bond(s), 10 rotatable bond(s), 1 double bond(s), 5 aromatic bond(s), 1 five-membered ring(s), and 1 Pyrazole(s) |
What’s the 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole’s molecular weight? |
746.184943 g/mol |
What’s the SMILES code of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole? |
CC(=O)n1nc(cc1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |
What’s the InChI string of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole? |
InChI=1S/C17H4F26N2O/c1-3(46)45-5(7(20,21)9(24,25)11(28,29)13(32,33)15(36,37)17(41,42)43)2-4(44-45)6(18,19)8(22,23)10(26,27)12(30,31)14(34,35)16(38,39)40/h2H,1H3 |
What’s the InChIKey code of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole? |
IQHPIVLECIKIGS-UHFFFAOYSA-N |