Basic information
- Standard SMILES
O=C1CCC[C@@H]2CCC[C@H](c3ccccc3F)N12- InChIKey
MNRKTPSHPXUFCT-SMDDNHRTSA-N- Molecular formula
- C15H18FNO
- Average molar mass
- 247.31 g/mol
Names & identifiers
- Preferred name
- (6R*,9aS*)-6-(2-fluorophenyl)octahydroquinolizin-4-one
- IUPAC
- (6R,9aS)-6-(2-fluorophenyl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
Names & synonyms
SCHEMBL4521091MNRKTPSHPXUFCT-SMDDNHRTSA-N(6R*,9aS*)-6-(2-fluorophenyl)octahydroquinolizin-4-one
Database identifiers
- PubChem CID
- 69077331
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 320
Related reactions
2 records
Compound notes
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