Basic information
- Standard SMILES
CC1=CC(c2cccc(OC(F)(F)F)c2)C2=C(CCCC2=O)N1- InChIKey
ARXHMOJXTVRPNB-UHFFFAOYSA-N- Molecular formula
- C17H16F3NO2
- Average molar mass
- 323.31 g/mol
Names & identifiers
- Preferred name
- 4-(3-Trifluoromethoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-5(1H)-quinolone
- IUPAC
- 2-methyl-4-[3-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydro-1H-quinolin-5-one
Names & synonyms
4-(3-Trifluoromethoxyphenyl)-2-methyl-4,6,7,8-tetrahydro-5(1H)-quinoloneSCHEMBL7835689
Database identifiers
- PubChem CID
- 19958932
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 551
Related reactions
2 records
Compound notes
Loading…