Basic information
- Standard SMILES
CCCc1cc2c(C(F)(F)F)c(C#N)ccc2[nH]1- InChIKey
XYSAUSFWRXGLSH-UHFFFAOYSA-N- Molecular formula
- C13H11F3N2
- Average molar mass
- 252.23 g/mol
- Monoisotopic mass
- 252.08743285
Names & identifiers
- Preferred name
- 2-propyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile
- IUPAC
- 2-propyl-4-(trifluoromethyl)-1H-indole-5-carbonitrile
Names & synonyms
2-propyl-4-(trifluoromethyl)-1H-indole-5-carbonitrileSCHEMBL2431374
Database identifiers
- PubChem CID
- 67405155
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 39.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 344
Related reactions
53 records
Compound notes
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