Basic information
- Standard SMILES
COCC(C)n1c(C)cc2c(C(F)(F)F)c(C#N)ccc21- InChIKey
CTLHAAAHUMSNJZ-UHFFFAOYSA-N- Molecular formula
- C15H15F3N2O
- Average molar mass
- 296.29 g/mol
Names & identifiers
- Preferred name
- 1-(1-Methoxypropan-2-yl)-2-methyl-4-(trifluoromethyl)indole-5-carbonitrile
- IUPAC
- 1-(1-methoxypropan-2-yl)-2-methyl-4-(trifluoromethyl)indole-5-carbonitrile
Names & synonyms
CTLHAAAHUMSNJZ-UHFFFAOYSA-NOCID190055875683
Database identifiers
- PubChem CID
- 77285665
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 38 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 417
Related reactions
1 records
Compound notes
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