Basic information
- CAS
64-63-1- Standard SMILES
O=C(CCCN1CCC2(CCCC2)C1)c1ccc(F)cc1- InChIKey
QQNMJHWOEIAQNU-UHFFFAOYSA-N- Molecular formula
- C18H24FNO
- Average molar mass
- 289.4 g/mol
- Monoisotopic mass
- 289.18419255
Names & identifiers
- Preferred name
- Butyrophenone, 4-(2-azaspiro(4.4)non-2-yl)-4'-fluoro-
- IUPAC
- 4-(2-azaspiro[4.4]nonan-2-yl)-1-(4-fluorophenyl)butan-1-one
Names & synonyms
BRN 143028764-63-1BUTYROPHENONE, 4-(2-AZASPIRO(4.4)NON-2-YL)-4'-FLUORO-4-(2-Azaspiro(4.4)non-2-yl)-4'-fluoro-butyrophenoneDTXSID802139795-20-04-00355 (Beilstein Handbook Reference)RefChem:331444DTXCID601364701-(4-Fluorophenyl)-4-(2-azaspiro[4.4]nonan-2-yl)butan-1-one4-(2-azaspiro[4.4]nonan-2-yl)-1-(4-fluorophenyl)butan-1-one
Database identifiers
- CAS
64-63-1- PubChem CID
- 6160
- DTXSID
DTXSID80213979- Nikkaji
- J67.434F
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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