Basic information
- Standard SMILES
CC(C)[C@@H](CC#N)Nc1ccc(C(F)(F)F)cc1- InChIKey
SZWZBLCEONBEMI-GFCCVEGCSA-N- Molecular formula
- C13H15F3N2
- Average molar mass
- 256.27 g/mol
Names & identifiers
- Preferred name
- N-[(1R)-1-(cyanomethyl)-2-methylpropyl]-4-(trifluoromethyl)aniline
- IUPAC
- (3R)-4-methyl-3-[4-(trifluoromethyl)anilino]pentanenitrile
Names & synonyms
N-[(1R)-1-(cyanomethyl)-2-methylpropyl]-4-(trifluoromethyl)anilineSCHEMBL1259895
Database identifiers
- PubChem CID
- 66968951
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
1 records
Compound notes
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