Basic information
- CAS
1238-79-5- Standard SMILES
CC1CC2(CCN(CCCC(=O)c3ccc(F)cc3)C2)CC(C)O1- InChIKey
QICDRFZUEJYNEL-UHFFFAOYSA-N- Molecular formula
- C20H28FNO2
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.2104073
Names & identifiers
- Preferred name
- Butyrophenone, 4-(7,9-dimethyl-8-oxa-2-azaspiro(4.5)dec-2-yl)-4'-fluoro-
- IUPAC
- 4-(7,9-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-1-(4-fluorophenyl)butan-1-one
Names & synonyms
BRN 10817314-(7,9-Dimethyl-8-oxa-2-azaspiro(4.5)dec-2-yl)-4'-fluoro-butyrophenone1238-79-5BUTYROPHENONE, 4-(7,9-DIMETHYL-8-OXA-2-AZASPIRO(4.5)DEC-2-YL)-4'-FLUORO-RefChem:331472DTXSID109246074-(7,9-dimethyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-1-(4-fluorophenyl)butan-1-one
Database identifiers
- CAS
1238-79-5- PubChem CID
- 14705
- DTXSID
DTXSID10924607- Nikkaji
- J67.456G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 423
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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