| CAS Number | 916423-57-9 |
| Catalog Number | AG006F72(AGN-PC-0WNLLY) |
| Chemical Name | 3-(Trifluoromethyl)pyrrolidine-3-carboxylic acid |
| IUPAC Name | 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C6H8F3NO2/c7-6(8,9)5(4(11)12)1-2-10-3-5/h10H,1-3H2,(H,11,12) |
| InChI Key | VEUBBZBEISLEIY-UHFFFAOYSA-N |
| MDL Number | MFCD09258799 |
| Molecular Formula | C6H8F3NO2 |
| Molecular Weight | 183.1284 |
| SMILES | OC(C1(C(F)(F)F)CNCC1)=O |
| Synonyms | 3-(trifluoromethyl)pyrrolidine-3-carboxylic acid,
916423-57-9,
AC1Q720Y,
SCHEMBL1282458,
CTK5H0255,
DTXSID00661574,
3151AF,
MFCD09258799,
SBB089992,
AKOS011164255,
MCULE-3216306117,
DA-01174,
CS-0091786,
FT-0684481,
EN300-58946,
Z-1870,
I04-5173,
C6H8F3NO2,
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| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.13g/mol |
| Monoisotopic Mass | 183.051g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number