Basic information
- CAS
64-57-3- Standard SMILES
O=C(CCCN1CCC2(CCCCCC2)CC1)c1ccc(F)cc1- InChIKey
OQGJEPJBGPMRBJ-UHFFFAOYSA-N- Molecular formula
- C21H30FNO
- Average molar mass
- 331.5 g/mol
- Monoisotopic mass
- 331.23114274
Names & identifiers
- Preferred name
- Butyrophenone, 4-(3-azaspiro(5.6)dodec-3-yl)-4'-fluoro-
- IUPAC
- 4-(3-azaspiro[5.6]dodecan-3-yl)-1-(4-fluorophenyl)butan-1-one
Names & synonyms
BRN 1348998BUTYROPHENONE, 4-(3-AZASPIRO(5.6)DODEC-3-YL)-4'-FLUORO-64-57-34-(3-Azaspiro(5.6)dodec-3-yl)-4'-fluoro-butyrophenoneDTXSID002139765-20-04-00448 (Beilstein Handbook Reference)RefChem:331451DTXCID301364674-(3-azaspiro[5.6]dodecan-3-yl)-1-(4-fluorophenyl)butan-1-one
Database identifiers
- CAS
64-57-3- PubChem CID
- 6153
- DTXSID
DTXSID00213976- Nikkaji
- J67.433H
Properties
Computed structural properties
- XLogP
- 5.7
- 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
- 385
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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