Basic information
- CAS
64-56-2- Standard SMILES
CC1CCCC2(CCN(CCCC(=O)c3ccc(F)cc3)CC2)C1- InChIKey
PIEMMNUFGLNISQ-UHFFFAOYSA-N- Molecular formula
- C21H30FNO
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.23114274
Names & identifiers
- Preferred name
- 4'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone
- IUPAC
- 1-(4-fluorophenyl)-4-(10-methyl-3-azaspiro[5.5]undecan-3-yl)butan-1-one
Names & synonyms
64-56-2BRN 13489974'-Fluoro-4-(8-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenoneBUTYROPHENONE, 4'-FLUORO-4-(8-METHYL-3-AZASPIRO(5.5)UNDEC-3-YL)-DTXSID809819041-(4-Fluorophenyl)-4-(8-methyl-3-azaspiro[5.5]undecan-3-yl)butan-1-one
Database identifiers
- CAS
64-56-2- PubChem CID
- 6152
- DTXSID
DTXSID80981904- Nikkaji
- J67.467B
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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