| CAS Number | 737760-98-4 |
| Catalog Number | AG00FYIX(AGN-PC-0OHC3R) |
| Chemical Name | Piperidine, 3-(trifluoromethyl)-, (3S)- (9CI) |
| IUPAC Name | (3S)-3-(trifluoromethyl)piperidine;hydrochloride |
| InChI | InChI=1S/C6H10F3N.ClH/c7-6(8,9)5-2-1-3-10-4-5;/h5,10H,1-4H2;1H/t5-;/m0./s1 |
| InChI Key | HMFJYLYZLJHSIF-JEDNCBNOSA-N |
| MDL Number | MFCD21333157 |
| Molecular Formula | C6H11ClF3N |
| Molecular Weight | 189.6064 |
| SMILES | Cl.FC([C@@H]1CNCCC1)(F)F |
| Synonyms | 737760-98-4,
(S)-3-(TRIFLUOROMETHYL)-PIPERIDINE-HCL,
(3S)-3-(TRIFLUOROMETHYL)PIPERIDINE HYDROCHLORIDE,
(S)-3-(Trifluoromethyl)piperidine hydrochloride,
MFCD21333157,
PB39165,
SB10810,
AS-51542,
CS-0055349,
Piperidine, 3-(trifluoromethyl)-, (3S)- (9CI),
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.606g/mol |
| Monoisotopic Mass | 189.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number