2-[(4-Fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Basic information
- CAS
24782-61-4- Standard SMILES
O=C1C(=Cc2ccc(F)cc2)N2CCC1CC2- InChIKey
ZENGXRZFUKYWDS-UHFFFAOYSA-N- Molecular formula
- C14H14FNO
- Average molar mass
- 231.26 g/mol
- Monoisotopic mass
- 231.10594223
Names & identifiers
- Preferred name
- 2-[(4-Fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
- IUPAC
- 2-[(4-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
Names & synonyms
2-[(4-fluorophenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one2-(4-fluorobenzylidene)quinuclidin-3-oneDTXSID501186202AKOS030241191
Database identifiers
- CAS
24782-61-4- PubChem CID
- 2732909
- DTXSID
DTXSID501186202
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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