Basic information
- CAS
291289-52-6- Standard SMILES
Fc1ccc(C2CC3CCC(C2)N3)cc1- InChIKey
XNXGLTJWOZMRNZ-UHFFFAOYSA-N- Molecular formula
- C13H16FN
- Average molar mass
- 205.27 g/mol
- Monoisotopic mass
- 205.12667768
Names & identifiers
- Preferred name
- 3-(4-Fluorophenyl)-8-azabicyclo[3.2.1]octane
- IUPAC
- 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane
- English name
- 3-(4-fluorophenyl)-8-azabicyclo[3.2.1]octane
- Molecular formula
- C13H16FN
- Molecular weight
- 205.27
Names & synonyms
3-(4-Fluorophenyl)-8-azabicyclo[3.2.1]octane291289-52-6SCHEMBL1206040SCHEMBL2682047DTXSID70621483XNXGLTJWOZMRNZ-UHFFFAOYSA-NDB-3475793-(4-fluorophenyl)-8-azabicyclo[3,2,1]-octane3-(4-fluoro-phenyl)-8-aza-bicyclo[3.2.1]octane8-Azabicyclo[3.2.1]octane, 3-(4-fluorophenyl)-
Database identifiers
- CAS
291289-52-6- PubChem CID
- 22012229
- DTXSID
DTXSID70621483
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- Density
- 1.095 · 1.095
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers3 total
武汉开诺医药科技有限公司18040571231/1402788087
上海书亚医药科技有限公司400-685-9117 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
Related reactions
4 records
Compound notes
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