Basic information
- Standard SMILES
C[C@H](n1ccc2c(C(F)(F)F)c(C#N)ccc21)C(C)(C)O- InChIKey
RRWMFEXUNNLRMV-VIFPVBQESA-N- Molecular formula
- C15H15F3N2O
- Average molar mass
- 296.29 g/mol
Names & identifiers
- Preferred name
- (S)-1-(3-Hydroxy-3-methylbutan-2-yl)-4-(trifluoromethyl)-1H-indole-5-carbonitrile
- IUPAC
- 1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-4-(trifluoromethyl)indole-5-carbonitrile
Names & synonyms
(S)-1-(3-Hydroxy-3-methylbutan-2-yl)-4-(trifluoromethyl)-1H-indole-5-carbonitrileSCHEMBL15421941
Database identifiers
- PubChem CID
- 89928330
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 49 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 440
Related reactions
1 records
Compound notes
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