(S)-1-(4-Chloro-2-methyl-phenyl)-2,2,2-trifluoro-ethylamine
Basic information
- CAS
1213968-97-8- Standard SMILES
Cc1cc(Cl)ccc1[C@H](N)C(F)(F)F- InChIKey
MQYIIPRFEWCFHP-QMMMGPOBSA-N- Molecular formula
- C9H9ClF3N
- Average molar mass
- 223.62 g/mol
- Monoisotopic mass
- 223.0375615
Names & identifiers
- Preferred name
- (S)-1-(4-Chloro-2-methyl-phenyl)-2,2,2-trifluoro-ethylamine
- IUPAC
- (1S)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanamine
- English name
- (S)-1-(4-CHLORO-2-METHYL-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE
- Molecular formula
- C9H9ClF3N
- Molecular weight
- 223.6226696
Names & synonyms
1213968-97-8(S)-1-(4-CHLORO-2-METHYL-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE(S)-1-(4-CHLORO-2-METHYLPHENYL)-2,2,2-TRIFLUOROETHAN-1-AMINE(1S)-1-(4-CHLORO-2-METHYLPHENYL)-2,2,2-TRIFLUOROETHANAMINEAKOS015925498DB-300076Y11877(S)-1-(4-chloro-2-methylphenyl)-2,2,2-trifluoroethanamine(S)-1-(4-CHLORO-2-METHYL-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMIN(S)-1-(4-CHLORO-2-METHYL-PHENYL)-2,2,2-TRIFLUORO-ETHYLAMINE HClBenzenemethanamine, 4-chloro-2-methyl-α-(trifluoromethyl)-, (αS)-
Database identifiers
- CAS
1213968-97-8- PubChem CID
- 56971835
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 195
Physicochemical properties
- Boiling point
- 263.7 · 263.7±40.0 °C(Predicted)
- Density
- 1.305 · 1.305±0.06 g/cm3(Predicted)
- pka
- 6.12 · 6.12±0.10(Predicted)
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