Basic information
- CAS
64-61-9- Standard SMILES
CC1CCC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1- InChIKey
KZGVFLXTABUVAM-UHFFFAOYSA-N- Molecular formula
- C20H28FNO
- Average molar mass
- 317.4 g/mol
- Monoisotopic mass
- 317.21549268
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)-
- IUPAC
- 1-(4-fluorophenyl)-4-(3-methyl-8-azaspiro[4.5]decan-8-yl)butan-1-one
Names & synonyms
64-61-94'-Fluoro-4-(2-methyl-8-azaspiro(4.5)dec-8-yl)butyrophenoneBUTYROPHENONE, 4'-FLUORO-4-(2-METHYL-8-AZASPIRO(4.5)DEC-8-YL)-RefChem:3314071-(4-Fluorophenyl)-4-(2-methyl-8-azaspiro[4.5]decan-8-yl)butan-1-oneDTXSID00981906
Database identifiers
- CAS
64-61-9- PubChem CID
- 6159
- DTXSID
DTXSID00981906- Nikkaji
- J67.466D
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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