Basic information
- CAS
61098-64-4- Standard SMILES
Br.O=C(CCCN1CC2(c3ccccc3)CCCC1C2)c1ccc(F)cc1- InChIKey
VSKVPWGSFBLDQB-UHFFFAOYSA-N- Molecular formula
- C23H27BrFNO
- Average molar mass
- 432.4 g/mol
- Monoisotopic mass
- 431.12601
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-fluorophenyl)-4-(1-phenyl-6-azabicyclo(3.2.1)oct-6-yl)-, hydrobromide, (+-)-
- IUPAC
- 1-(4-fluorophenyl)-4-(1-phenyl-6-azabicyclo[3.2.1]octan-6-yl)butan-1-one;hydrobromide
Names & synonyms
(+-)-1-(4-Fluorophenyl)-4-(1-phenyl-6-azabicyclo(3.2.1)oct-6-yl)-1-butanone hydrobromide61098-64-41-Butanone, 1-(4-fluorophenyl)-4-(1-phenyl-6-azabicyclo(3.2.1)oct-6-yl)-, hydrobromide, (+-)-RefChem:228854DTXSID109766061-(4-Fluorophenyl)-4-(1-phenyl-6-azabicyclo[3.2.1]octan-6-yl)butan-1-one--hydrogen bromide (1/1)
Database identifiers
- CAS
61098-64-4- PubChem CID
- 3045751
- DTXSID
DTXSID10976606
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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