Basic information
- Standard SMILES
[C-]#[N+][C@@](Cc1ccccc1)(c1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1- InChIKey
TWPFFTLOTBYPGK-NRFANRHFSA-N- Molecular formula
- C22H14F5N
- Average molar mass
- 387.3 g/mol
Names & identifiers
- Preferred name
- (S)-1-fluoro-3-(1-(4-fluorophenyl)-1-isocyano-2-phenylethyl)-5-(trifluoromethyl)benzene
- IUPAC
- 1-fluoro-3-[(1S)-1-(4-fluorophenyl)-1-isocyano-2-phenylethyl]-5-(trifluoromethyl)benzene
Names & synonyms
SCHEMBL761770TWPFFTLOTBYPGK-NRFANRHFSA-N(S)-1-fluoro-3-(1-(4-fluorophenyl)-1-isocyano-2-phenylethyl)-5-(trifluoromethyl)benzene
Database identifiers
- PubChem CID
- 59458487
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 553
Related reactions
6 records
Compound notes
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