Basic information
- Standard SMILES
CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1- InChIKey
HRDKHLFBHZAXLE-UHFFFAOYSA-N- Molecular formula
- C19H14F3NO3
- Average molar mass
- 361.3 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinoline-3-carboxylate
- IUPAC
- ethyl 4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinoline-3-carboxylate
Names & synonyms
ethyl 4-(3-hydroxyphenyl)-8-(trifluoromethyl)quinoline-3-carboxylateSCHEMBL1124932
Database identifiers
- PubChem CID
- 66913698
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 499
Related reactions
2 records
Compound notes
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