| CAS Number | 1807940-49-3 |
| Catalog Number | AG01BAEF |
| Chemical Name | (1S)-1-[6-(trifluoromethyl)pyridin-3-yl]ethan-1-ol |
| IUPAC Name | (1S)-1-[6-(trifluoromethyl)pyridin-3-yl]ethanol |
| InChI | InChI=1S/C8H8F3NO/c1-5(13)6-2-3-7(12-4-6)8(9,10)11/h2-5,13H,1H3/t5-/m0/s1 |
| InChI Key | JGVSFNXTWYOUFV-YFKPBYRVSA-N |
| MDL Number | MFCD28397618 |
| Molecular Formula | C8H8F3NO |
| Molecular Weight | 191.1504 |
| SMILES | C[C@@H](C1=CN=C(C(F)(F)F)C=C1)O |
| Synonyms | (S)-1-(6-(trifluoromethyl)pyridin-3-yl)ethanol,
1807940-49-3,
(1S)-1-[6-(trifluoromethyl)pyridin-3-yl]ethan-1-ol,
MFCD28397618,
ZINC79035702,
AS-48475,
(S)-1-(6-(Trifluoromethyl)pyridine-3-yl)ethan-1-ol,
UNII-03XVW8912B component JGVSFNXTWYOUFV-RXMQYKEDSA-N,
UNII-03XVW8912B component JGVSFNXTWYOUFV-YFKPBYRVSA-N,
N/A,
|
| Complexity | 171 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 191.056g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.153g/mol |
| Monoisotopic Mass | 191.056g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 33.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number