| CAS Number | 1228570-37-3 |
| Catalog Number | AG009G5K(AGN-PC-0WNO8B) |
| Chemical Name | (S)-2-(2-(trifluoromethyl)phenyl)piperidine |
| IUPAC Name | (2S)-2-[2-(trifluoromethyl)phenyl]piperidine |
| InChI | InChI=1S/C12H14F3N/c13-12(14,15)10-6-2-1-5-9(10)11-7-3-4-8-16-11/h1-2,5-6,11,16H,3-4,7-8H2/t11-/m0/s1 |
| InChI Key | VCFXQOYIVFTLFP-NSHDSACASA-N |
| MDL Number | MFCD06762625 |
| Molecular Formula | C12H14F3N |
| Molecular Weight | 229.2415 |
| SMILES | FC(C1=CC=CC=C1[C@H]2NCCCC2)(F)F |
| Synonyms | 1228570-37-3,
(S)-2-(2-(trifluoromethyl)phenyl)piperidine,
AMPD00331,
ZINC2577412,
MFCD06762625,
AKOS030529224,
AJ-42629,
(2S)-2-[2-(trifluoromethyl)phenyl]piperidine,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.246g/mol |
| Monoisotopic Mass | 229.108g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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