Basic information
- Standard SMILES
O=C(O)c1cccc2ccc(-c3cccc(C(F)F)c3)nc12- InChIKey
NKJMPGFVHZTRAC-UHFFFAOYSA-N- Molecular formula
- C17H11F2NO2
- Average molar mass
- 299.27 g/mol
Names & identifiers
- Preferred name
- 2-(3-(Difluoromethyl)phenyl)quinoline-8-carboxylic acid
- IUPAC
- 2-[3-(difluoromethyl)phenyl]quinoline-8-carboxylic acid
Names & synonyms
2-(3-(difluoromethyl)phenyl)quinoline-8-carboxylic acidSCHEMBL1032405
Database identifiers
- PubChem CID
- 58154684
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
Related reactions
2 records
Compound notes
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