1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-
Basic information
- CAS
61098-72-4- Standard SMILES
Cl.O=C(CCCN1CC2(c3cccc(O)c3)CCCC1C2)c1ccc(F)cc1- InChIKey
ORIISXAFLPTPLD-UHFFFAOYSA-N- Molecular formula
- C23H27ClFNO2
- Average molar mass
- 403.9 g/mol
- Monoisotopic mass
- 403.171435
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-
- IUPAC
- 1-(4-fluorophenyl)-4-[1-(3-hydroxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one;hydrochloride
Names & synonyms
61098-72-41-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-RefChem:228852CHEMBL3251456SCHEMBL11859349DTXSID609766111-(4-Fluorophenyl)-4-[1-(3-hydroxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
61098-72-4- PubChem CID
- 3045763
- DTXSID
DTXSID60976611- ChEMBL
CHEMBL3251456
Properties
Computed structural properties
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 519
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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