1-Butanone, 4-(2-azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-, hydrochloride
Basic information
- CAS
35806-08-7- Standard SMILES
Cl.O=C(CCCN1CC2C=CC1CC2)c1ccc(F)cc1- InChIKey
PKSWQZPTTHJUGR-UHFFFAOYSA-N- Molecular formula
- C17H21ClFNO
- Average molar mass
- 309.8 g/mol
- Monoisotopic mass
- 309.1295701
Names & identifiers
- Preferred name
- 1-Butanone, 4-(2-azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-, hydrochloride
- IUPAC
- 4-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride
Names & synonyms
35806-08-74-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride1-Butanone, 4-(2-azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-, hydrochlorideRefChem:228919DTXSID709571934-(2-Azabicyclo[2.2.2]oct-5-en-2-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)
Database identifiers
- CAS
35806-08-7- PubChem CID
- 215511
- DTXSID
DTXSID70957193
Properties
Computed structural properties
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…