Basic information
- Standard SMILES
CCOC(=O)C1=Cc2cc(Cl)ccc2NC1C(F)(F)F- InChIKey
MRPAVUQPLWDMEZ-UHFFFAOYSA-N- Molecular formula
- C13H11ClF3NO2
- Average molar mass
- 305.68 g/mol
Names & identifiers
- Preferred name
- Ethyl 6-chloro-1,2-dihydro-2-(trifluoromethyl)-3-quinolinecarboxylate
- IUPAC
- ethyl 6-chloro-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate
Names & synonyms
ethyl 6-chloro-1,2-dihydro-2-(trifluoromethyl)-3-quinolinecarboxylateSCHEMBL6093835
Database identifiers
- PubChem CID
- 21883646
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Related reactions
23 records
Compound notes
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