Basic information
- Standard SMILES
CC(C)[C@H](CCl)Nc1ccc(C(F)(F)F)cc1- InChIKey
AIVJYYLEAORRKA-NSHDSACASA-N- Molecular formula
- C12H15ClF3N
- Average molar mass
- 265.7 g/mol
Names & identifiers
- Preferred name
- N-[(1R)-1-(chloromethyl)-2-methylpropyl]-4-(trifluoromethyl)aniline
- IUPAC
- N-[(2R)-1-chloro-3-methylbutan-2-yl]-4-(trifluoromethyl)aniline
Names & synonyms
N-[(1R)-1-(chloromethyl)-2-methylpropyl]-4-(trifluoromethyl)anilineSCHEMBL1259891
Database identifiers
- PubChem CID
- 66968950
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Related reactions
1 records
Compound notes
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