Basic information
- Standard SMILES
CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1-c1ccccc1- InChIKey
BBHYVEBQGMBRIJ-UHFFFAOYSA-N- Molecular formula
- C19H14F3NO2
- Average molar mass
- 345.3 g/mol
- Monoisotopic mass
- 345.09766318
Names & identifiers
- Preferred name
- 4-Phenyl-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-phenyl-7-(trifluoromethyl)quinoline-3-carboxylate
Names & synonyms
4-phenyl-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl esterSCHEMBL3074877
Database identifiers
- PubChem CID
- 59205205
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 462
Related reactions
3 records
Compound notes
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