| CAS Number | 1410903-57-9 |
| Catalog Number | AG001FVM(AGN-PC-0WD4CI) |
| Chemical Name | (S)-2-(Trifluoromethyl)pyrrolidine hydrochloride |
| IUPAC Name | (2S)-2-(trifluoromethyl)pyrrolidine;hydrochloride |
| InChI | InChI=1S/C5H8F3N.ClH/c6-5(7,8)4-2-1-3-9-4;/h4,9H,1-3H2;1H/t4-;/m0./s1 |
| InChI Key | UAKBWWZKKFYLRW-WCCKRBBISA-N |
| MDL Number | MFCD22380026 |
| Molecular Formula | C5H9ClF3N |
| Molecular Weight | 175.5799 |
| SMILES | FC([C@H]1NCCC1)(F)F.[H]Cl |
| Synonyms | 1410903-57-9,
(S)-2-(trifluoromethyl)pyrrolidine hydrochloride,
(S)-2-Trifluoromethylpyrrolidine hydrochloride,
C5H8F3N.HCl,
SCHEMBL17202017,
9142AH,
MFCD22380026,
AKOS016015546,
AX8279351,
(2S)-2-Trifluoromethylpyrrolidine hydrochloride,
(S)-2-Trifluoromethyl-pyrrolidine hydrochloride,
(2S)-2-(trifluoromethyl)pyrrolidine hydrochloride,
Pyrrolidine, 2-(trifluoromethyl)-, hydrochloride (1:1), (2S)-,
119580-41-5,
|
| Complexity | 98.9 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 175.038g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 175.579g/mol |
| Monoisotopic Mass | 175.038g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number