| CAS Number | 1547061-05-1 |
| Catalog Number | AG01B8IY |
| Chemical Name | 3-(Trifluoromethyl)cyclopentane-1-carboxylic acid |
| IUPAC Name | 3-(trifluoromethyl)cyclopentane-1-carboxylic acid |
| InChI | InChI=1S/C7H9F3O2/c8-7(9,10)5-2-1-4(3-5)6(11)12/h4-5H,1-3H2,(H,11,12) |
| InChI Key | NYAYYEZWRSHEMJ-UHFFFAOYSA-N |
| MDL Number | MFCD28397371 |
| Molecular Formula | C7H9F3O2 |
| Molecular Weight | 182.1404 |
| SMILES | OC(=O)C1CCC(C1)C(F)(F)F |
| Synonyms | 3-(trifluoromethyl)cyclopentane-1-carboxylic acid,
1547061-05-1,
cis-3-(Trifluoromethyl)cyclopentane-1-carboxylic acid,
(1R,3S)-3-(Trifluoromethyl)cyclopentane-1-carboxylic acid,
(1S,3R)-3-(Trifluoromethyl)cyclopentane-1-carboxylic acid,
2165443-77-4,
2165483-38-3,
AKOS023667680,
CS-0058002,
N/A,
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| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.142g/mol |
| Monoisotopic Mass | 182.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
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