Basic information
- Standard SMILES
CC(C)n1cc(C=O)c2c(-c3ccc(F)c(F)c3F)cccc21- InChIKey
VUBXEKMDMKKRIS-UHFFFAOYSA-N- Molecular formula
- C18H14F3NO
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.10274856
Names & identifiers
- Preferred name
- 1-(propan-2-yl)-4-(2,3,4-trifluorophenyl)-1H-indole-3-carboxaldehyde
- IUPAC
- 1-propan-2-yl-4-(2,3,4-trifluorophenyl)indole-3-carbaldehyde
Names & synonyms
SCHEMBL672434VUBXEKMDMKKRIS-UHFFFAOYSA-N1-(propan-2-yl)-4-(2,3,4-trifluorophenyl)-1H-indole-3-carboxaldehyde
Database identifiers
- PubChem CID
- 86685281
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 22 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 432
Related reactions
1 records
Compound notes
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