Basic information
- Standard SMILES
CCOC(=O)C1=Cc2cc(C(F)(F)F)ccc2NC1C(F)(F)F- InChIKey
PBEMTULMVDEVPT-UHFFFAOYSA-N- Molecular formula
- C14H11F6NO2
- Average molar mass
- 339.23 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-trifluoromethyl-1,2-dihydro-2-(trifluoromethyl)-3-quinolinecarboxylate
- IUPAC
- ethyl 2,6-bis(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate
Names & synonyms
ethyl 6-trifluoromethyl-1,2-dihydro-2-(trifluoromethyl)-3-quinolinecarboxylateSCHEMBL6091928
Database identifiers
- PubChem CID
- 21883618
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 485
Related reactions
16 records
Compound notes
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