Basic information
- Standard SMILES
O=C1CCCCN1c1cccc(SCc2ccccc2)c1C(F)(F)F- InChIKey
FVQBZZXHKQAOSQ-UHFFFAOYSA-N- Molecular formula
- C19H18F3NOS
- Average molar mass
- 365.4 g/mol
- Monoisotopic mass
- 365.10611986
Names & identifiers
- Preferred name
- 1-(3-Benzylsulfanyl-2-trifluoromethyl-phenyl)piperidin-2-one
- IUPAC
- 1-[3-benzylsulfanyl-2-(trifluoromethyl)phenyl]piperidin-2-one
Names & synonyms
1-(3-Benzylsulfanyl-2-trifluoromethyl-phenyl)piperidin-2-oneSCHEMBL1771377
Database identifiers
- PubChem CID
- 67155501
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 450
Related reactions
2 records
Compound notes
Loading…