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Structure of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole (C17H4F26N2O)

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2D chemical structure image of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
Chemical Formula C17H4F26N2O
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:

2D chemical structure image of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
2-dimensional (2D) chemical structure image of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
3D chemical structure image of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
3-dimensional (3D) chemical structure image of 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole

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
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole Molecule

  • 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?
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