Basic information
- CAS
35806-31-6- Standard SMILES
CC(CCC(=O)c1ccc(F)cc1)N1CC2CCC(CC2)C1- InChIKey
GVGRGFQZLYTPPK-UHFFFAOYSA-N- Molecular formula
- C19H26FNO
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.19984261
Names & identifiers
- Preferred name
- 1-Pentanone, 4-(3-azabicyclo(3.2.2)non-3-yl)-1-(4-fluorophenyl)-, (+-)-
- IUPAC
- 4-(3-azabicyclo[3.2.2]nonan-3-yl)-1-(4-fluorophenyl)pentan-1-one
Names & synonyms
BRN 1647638(+-)-4-(3-Azabicyclo(3.2.2)non-3-yl)-1-(4-fluorophenyl)-1-pentanone35806-31-65-20-04-00379 (Beilstein Handbook Reference)1-Pentanone, 4-(3-azabicyclo(3.2.2)non-3-yl)-1-(4-fluorophenyl)-, (+-)-RefChem:232940DTXSID509571964-(3-azabicyclo[3.2.2]nonan-3-yl)-1-(4-fluorophenyl)pentan-1-one
Database identifiers
- CAS
35806-31-6- PubChem CID
- 215516
- DTXSID
DTXSID50957196
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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