Basic information
- CAS
64-59-5- Standard SMILES
CC1CCC2(CC1)CC[NH+](CCCC(=O)c1ccc(F)cc1)CC2.[Cl-]- InChIKey
ADPMIFYDMCNJNN-UHFFFAOYSA-N- Molecular formula
- C21H31ClFNO
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.2078205
Names & identifiers
- Preferred name
- 4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone
- IUPAC
- 1-(4-fluorophenyl)-4-(9-methyl-3-azoniaspiro[5.5]undecan-3-yl)butan-1-one chloride
Names & synonyms
4'-Fluoro-4-(9-methyl-3-azaspiro(5.5)undec-3-yl)butyrophenone64-59-5BRN 1348999BUTYROPHENONE, 4'-FLUORO-4-(9-METHYL-3-AZASPIRO(5.5)UNDEC-3-YL)-
Database identifiers
- CAS
64-59-5- PubChem CID
- 6155
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 398
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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