Basic information
- Standard SMILES
O=C(O)C1=Cc2cc(OC(F)(F)F)ccc2NC1C(F)(F)F- InChIKey
QWSDIUKYQHTCFI-UHFFFAOYSA-N- Molecular formula
- C12H7F6NO3
- Average molar mass
- 327.18 g/mol
Names & identifiers
- Preferred name
- 1,2-Dihydro-6-(trifluoromethoxy)-2-(trifluoromethyl)-3-quinolinecarboxylic acid
- IUPAC
- 6-(trifluoromethoxy)-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylic acid
Names & synonyms
1,2-dihydro-6-(trifluoromethoxy)-2-(trifluoromethyl)-3-quinolinecarboxylic acidSCHEMBL60919111,2-dihydro-6-(trifluoromethoxy)-2(trifluoromethyl)-3-quinolinecarboxylic acid
Database identifiers
- PubChem CID
- 21883684
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 472
Related reactions
8 records
Compound notes
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