Basic information
- Standard SMILES
COc1c(F)c(F)cc2c(=O)c(C(=O)O)cn(CC(F)(F)F)c12- InChIKey
VEQBUMOFTDWDPV-UHFFFAOYSA-N- Molecular formula
- C13H8F5NO4
- Average molar mass
- 337.2 g/mol
Names & identifiers
- Preferred name
- 6,7-Difluoro-8-methoxy-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydroquinoline-3-carboxylic acid
- IUPAC
- 6,7-difluoro-8-methoxy-4-oxo-1-(2,2,2-trifluoroethyl)quinoline-3-carboxylic acid
Names & synonyms
SCHEMBL967928VEQBUMOFTDWDPV-UHFFFAOYSA-N6,7-difluoro-8-methoxy-4-oxo-1-(2,2,2-trifluoroethyl)-1,4-dihydroquinoline-3-carboxylic acid
Database identifiers
- PubChem CID
- 57794189
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 535
Related reactions
1 records
Compound notes
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