Basic information
- Standard SMILES
Cc1cc2c(C(F)(F)F)c(C#N)ccc2[nH]1- InChIKey
ZHHCDMSISJXBJG-UHFFFAOYSA-N- Molecular formula
- C11H7F3N2
- Average molar mass
- 224.18 g/mol
Names & identifiers
- Preferred name
- 2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile
- IUPAC
- 2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile
Names & synonyms
2-methyl-4-(trifluoromethyl)-1H-indole-5-carbonitrileSCHEMBL2431816
Database identifiers
- PubChem CID
- 53309346
- Nikkaji
- J2.961.545D
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Related reactions
182 records
Compound notes
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