Basic information
- Standard SMILES
CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
YLEVHFNEGYKVHW-UHFFFAOYSA-N- Molecular formula
- C21H12F9NO2
- Average molar mass
- 481.3 g/mol
Names & identifiers
- Preferred name
- 4-(3,5-Bis-trifluoromethyl-phenyl)-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester
- IUPAC
- ethyl 4-[3,5-bis(trifluoromethyl)phenyl]-7-(trifluoromethyl)quinoline-3-carboxylate
Names & synonyms
4-(3,5-bis-trifluoromethyl-phenyl)-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl esterSCHEMBL3059653
Database identifiers
- PubChem CID
- 59205201
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 669
Related reactions
3 records
Compound notes
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