Basic information
- Standard SMILES
O=C(O)c1c(C=C2CC2)c2ccccc2n1Cc1cccc(C(F)(F)F)c1- InChIKey
NWWJLYNFCSKNOP-UHFFFAOYSA-N- Molecular formula
- C21H16F3NO2
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.11331324
Names & identifiers
- Preferred name
- 3-(Cyclopropylidenemethyl)-1-[3-(trifluoromethyl)benzyl]-1H-indole-2-carboxylic acid
- IUPAC
- 3-(cyclopropylidenemethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indole-2-carboxylic acid
Names & synonyms
3-(Cyclopropylidenemethyl)-1-[3-(trifluoromethyl)benzyl]-1H-indole-2-carboxylic acidSCHEMBL6858353
Database identifiers
- PubChem CID
- 10133792
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 42.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 597
Related reactions
2 records
Compound notes
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