Basic information
- Standard SMILES
O=C1CCCC2CCC(O)C(c3cc(F)c(F)c(F)c3)N12- InChIKey
WFGXCSSIQYGKAM-UHFFFAOYSA-N- Molecular formula
- C15H16F3NO2
- Average molar mass
- 299.29 g/mol
- Monoisotopic mass
- 299.11331324
Names & identifiers
- Preferred name
- 7-Hydroxy-6-(3,4,5-trifluorophenyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
- IUPAC
- 7-hydroxy-6-(3,4,5-trifluorophenyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
Names & synonyms
SCHEMBL4498376
Database identifiers
- PubChem CID
- 69067546
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
1 records
Compound notes
Loading…