Structure of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid (C5H6F2O2)
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Chemical Formula | C5H6F2O2 |
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Molecular Weight | 136.096746 g/mol |
IUPAC Name | 2,2-difluoro-1-methylcyclopropane-1-carboxylic acid |
SMILES String | CC1(CC1(F)F)C(O)=O |
InChI | InChI=1S/C5H6F2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9) |
InChIKey | HLFLYOQLHYYNLT-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 2,2-Difluoro-1-methylcyclopropanecarboxylic acid molecule contains a total of 15 bond(s). There are 9 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 three-membered ring(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s). Images of the chemical structure of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid are given below:


The 2D chemical structure image of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid 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 2,2-Difluoro-1-methylcyclopropanecarboxylic acid 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 2,2-Difluoro-1-methylcyclopropanecarboxylic acid. 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 2,2-Difluoro-1-methylcyclopropanecarboxylic acid is provided here.
The 2,2-Difluoro-1-methylcyclopropanecarboxylic acid 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 2,2-Difluoro-1-methylcyclopropanecarboxylic acid 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 2,2-Difluoro-1-methylcyclopropanecarboxylic acid 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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- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying 2,2-Difluoro-1-methylcyclopropanecarboxylic acid Molecule
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SMILES (Simplified Molecular-Input Line-Entry System) string of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid
The SMILES string of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid is CC1(CC1(F)F)C(O)=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2,2-Difluoro-1-methylcyclopropanecarboxylic acid.
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Structure Data File (SDF/MOL File) of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid
The structure data file (SDF/MOL File) of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid is available for download in the SDF page of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid, which provides the information about the atoms, bonds, connectivity and coordinates of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid. The 2,2-Difluoro-1-methylcyclopropanecarboxylic acid structure data file can be imported to most of the cheminformatics software systems and applications.
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Chemical formula of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid
The molecular formula of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid is available in chemical formula page of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid, 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 2,2-Difluoro-1-methylcyclopropanecarboxylic acid
The molecular weight of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid is available in molecular weight page of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid, 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 2,2-Difluoro-1-methylcyclopropanecarboxylic acid
The 2,2-Difluoro-1-methylcyclopropanecarboxylic acid compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid including the various registry numbers, if available:
- Z2350904553
- 2,2-Difluoro-1-methylcyclopropanecarboxylic acid, 97%
- (+/-)-2,2-difluoro-1-methylcyclopropane-carboxylicacid
- I04-5221
- 2,2-Difluoro-1-methyl cyclopropane carboxylic acid
- ()-2,2-Difluoro-1-methylcyclopropanecarboxylic acid
- 2,2-difluoro-1-methylcyclopropane-carboxylic acid
- Z-0186
- MFCD07777163
- ANW-55867
- 5402AA
- 2,2-difluoro-1-methyl-1-cyclopropanecarboxylic acid
- EN300-82805
- 2,2-DIFLUORO-1-METHYLCYCLOPROPANE CARBOXYLIC ACID
- 2,2-Difluoro-1-methylcyclopropanecarboxylic acid
- 128073-33-6
2,2-Difluoro-1-methylcyclopropanecarboxylic acid Identification Summary Frequently Asked Questions (FAQs)
What’s the chemical formula of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid? |
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C5H6F2O2 |
How many atoms and what are the elements included the 2,2-Difluoro-1-methylcyclopropanecarboxylic acid molecule? |
15 atom(s) - 6 Hydrogen atom(s), 5 Carbon atom(s), 2 Oxygen atom(s), and 2 Fluorine atom(s) |
How many chemical bonds and what kind of bonds are included the 2,2-Difluoro-1-methylcyclopropanecarboxylic acid structure? |
15 bond(s) - 9 non-H bond(s), 1 multiple bond(s), 1 rotatable bond(s), 1 double bond(s), 1 three-membered ring(s), 1 carboxylic acid(s) (aliphatic), and 1 hydroxyl group(s) |
What’s the 2,2-Difluoro-1-methylcyclopropanecarboxylic acid’s molecular weight? |
136.096746 g/mol |
What’s the SMILES code of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid? |
CC1(CC1(F)F)C(O)=O |
What’s the InChI string of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid? |
InChI=1S/C5H6F2O2/c1-4(3(8)9)2-5(4,6)7/h2H2,1H3,(H,8,9) |
What’s the InChIKey code of 2,2-Difluoro-1-methylcyclopropanecarboxylic acid? |
HLFLYOQLHYYNLT-UHFFFAOYSA-N |