| CAS Number | 2031242-10-9 |
| Catalog Number | AG01B75I |
| Chemical Name | rac-3-[(2r,5s)-5-(trifluoromethyl)pyrrolidin-2-yl]propanoic acid hydrochloride |
| IUPAC Name | 3-[(2S,5R)-5-(trifluoromethyl)pyrrolidin-2-yl]propanoic acid;hydrochloride |
| InChI | InChI=1S/C8H12F3NO2.ClH/c9-8(10,11)6-3-1-5(12-6)2-4-7(13)14;/h5-6,12H,1-4H2,(H,13,14);1H/t5-,6+;/m0./s1 |
| InChI Key | QLAMIMQVRRUDLZ-RIHPBJNCSA-N |
| MDL Number | MFCD30347885 |
| Molecular Formula | C8H13ClF3NO2 |
| Molecular Weight | 247.6425 |
| SMILES | OC(=O)CC[C@@H]1CC[C@@H](N1)C(F)(F)F.Cl |
| Synonyms | rac-3-[(2R,5S)-5-(trifluoromethyl)pyrrolidin-2-yl]propanoic acid hydrochloride, cis,
2031242-10-9,
|
| Complexity | 217 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.642g/mol |
| Monoisotopic Mass | 247.059g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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