Basic information
- Standard SMILES
CC(=O)C(C)n1c(C)cc2c(C(F)(F)F)c(C#N)ccc21- InChIKey
LGTAUXZNUNTTKG-UHFFFAOYSA-N- Molecular formula
- C15H13F3N2O
- Average molar mass
- 294.27 g/mol
Names & identifiers
- Preferred name
- 2-methyl-1-(1-methyl-2-oxopropyl)-4-(trifluoromethyl)-1H-indole-5-carbonitrile
- IUPAC
- 2-methyl-1-(3-oxobutan-2-yl)-4-(trifluoromethyl)indole-5-carbonitrile
Names & synonyms
2-methyl-1-(1-methyl-2-oxopropyl)-4-(trifluoromethyl)-1H-indole-5-carbonitrileSCHEMBL15421710
Database identifiers
- PubChem CID
- 86709159
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 45.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 467
Related reactions
1 records
Compound notes
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