| CAS Number | 291778-50-2 |
| Catalog Number | AG01DKSZ(AGN-PC-0O8NMT) |
| Chemical Name | (2S,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol |
| IUPAC Name | (2S,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol |
| InChI | InChI=1S/C6H12F3NO/c1-3(2)4(10)5(11)6(7,8)9/h3-5,11H,10H2,1-2H3/t4-,5-/m0/s1 |
| InChI Key | CXXBVHOIDJALEU-WHFBIAKZSA-N |
| MDL Number | MFCD28145502 |
| Molecular Formula | C6H12F3NO |
| Molecular Weight | 171.1608 |
| SMILES | CC([C@@H]([C@@H](C(F)(F)F)O)N)C |
| Synonyms | (2S,3S)-3-amino-1,1,1-trifluoro-4-methylpentan-2-ol,
291778-50-2,
SCHEMBL5704588,
CXXBVHOIDJALEU-WHFBIAKZSA-N,
MFCD28145502,
ZINC20285509,
AKOS026742864,
(2s,3s)-3-amino-1,1,1-trifluoro-4-methyl-2-pentanol,
(1S,2S)-1-(Trifluoromethyl)-2-amino-3-methylbutane-1-ol,
|
| Complexity | 124 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.163g/mol |
| Monoisotopic Mass | 171.087g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number