Basic information
- CAS
73962-17-1- Standard SMILES
O=C(CCCN1CCC2(CC1)COc1ccccc12)c1ccc(F)cc1- InChIKey
NLLWFQSRJVHDMI-UHFFFAOYSA-N- Molecular formula
- C22H24FNO2
- Average molar mass
- 353.4 g/mol
- Monoisotopic mass
- 353.17910717
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(spiro(benzofuran-3(2H),4'-piperidin)-1'-yl)-
- IUPAC
- 1-(4-fluorophenyl)-4-spiro[2H-1-benzofuran-3,4'-piperidine]-1'-ylbutan-1-one
Names & synonyms
BRN 5618218BUTYROPHENONE, 4'-FLUORO-4-(SPIRO(BENZOFURAN-3(2H),4'-PIPERIDIN)-1'-YL)-73962-17-1DTXSID102246994'-Fluoro-4-(spiro(benzofuran-3(2H),4'-piperidin)-1'-yl)butyrophenoneRefChem:331436DTXCID901471901-(4-Fluorophenyl)-4-(2H-spiro[[1]benzofuran-3,4'-piperidin]-1'-yl)butan-1-one
Database identifiers
- CAS
73962-17-1- PubChem CID
- 52823
- DTXSID
DTXSID10224699- Nikkaji
- J67.473G
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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