Basic information
- Standard SMILES
CC(Oc1cccc(-c2c(Cc3ccccc3)cnc3c(C(F)(F)F)cccc23)c1)c1ccccc1Cl- InChIKey
OXBIVLDKNVNUGD-UHFFFAOYSA-N- Molecular formula
- C31H23ClF3NO
- Average molar mass
- 518 g/mol
Names & identifiers
- Preferred name
- 3-Benzyl-4-{3-[1-(2-Chlorophenyl)Ethoxy]Phenyl}-8-(Trifluoromethyl)Quinoline
- IUPAC
- 3-benzyl-4-[3-[1-(2-chlorophenyl)ethoxy]phenyl]-8-(trifluoromethyl)quinoline
Names & synonyms
3-Benzyl-4-{3-[1-(2-Chlorophenyl)Ethoxy]Phenyl}-8-(Trifluoromethyl)QuinolineSCHEMBL1125386
Database identifiers
- PubChem CID
- 66914042
Properties
Computed structural properties
- XLogP
- 9.1
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 713
Related reactions
2 records
Compound notes
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