2-Ethyl-1-(1-ethylpropyl)-4-(trifluoromethyl)-1H-indole-5-carbonitrile
Basic information
- Standard SMILES
CCc1cc2c(C(F)(F)F)c(C#N)ccc2n1C(CC)CC- InChIKey
SBOKYMHBRBJREQ-UHFFFAOYSA-N- Molecular formula
- C17H19F3N2
- Average molar mass
- 308.34 g/mol
- Monoisotopic mass
- 308.1500331
Names & identifiers
- Preferred name
- 2-Ethyl-1-(1-ethylpropyl)-4-(trifluoromethyl)-1H-indole-5-carbonitrile
- IUPAC
- 2-ethyl-1-pentan-3-yl-4-(trifluoromethyl)indole-5-carbonitrile
Names & synonyms
2-Ethyl-1-(1-ethylpropyl)-4-(trifluoromethyl)-1H-indole-5-carbonitrileSCHEMBL2431265
Database identifiers
- PubChem CID
- 67405136
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 421
Related reactions
4 records
Compound notes
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