| CAS Number | 1270476-21-5 |
| Catalog Number | AG01A69T |
| Chemical Name | 1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2,2,2-TRIFLUOROETHAN-1-AMINE |
| IUPAC Name | 1-[3,5-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine |
| InChI | InChI=1S/C10H6F9N/c11-8(12,13)5-1-4(7(20)10(17,18)19)2-6(3-5)9(14,15)16/h1-3,7H,20H2 |
| InChI Key | GURRKOBWILKVPZ-UHFFFAOYSA-N |
| MDL Number | MFCD18702245 |
| Molecular Formula | C10H6F9N |
| Molecular Weight | 311.1470 |
| SMILES | NC(C(F)(F)F)C1C=C(C(F)(F)F)C=C(C(F)(F)F)C=1 |
| Synonyms | 1-[3,5-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroethan-1-amine,
1270476-21-5,
AKOS017471554,
NE38689,
(1R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2,2,2-TRIFLUOROETHYLAMINE,
(1S)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL]-2,2,2-TRIFLUOROETHYLAMINE,
|
| Complexity | 307 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 311.151g/mol |
| Monoisotopic Mass | 311.036g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number