1,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(3-trifluoromethylphenyl)-1-piperazinyl)ethyl)-, hydrochloride
Basic information
- CAS
71923-23-4- Standard SMILES
O=c1oc(CC[NH+]2CCN(c3cccc(C(F)(F)F)c3)CC2)c(-c2ccc(F)cc2)o1.[Cl-]- InChIKey
VCYBANKNPXVPKU-UHFFFAOYSA-N- Molecular formula
- C22H21ClF4N2O3
- Average molar mass
- 472.9 g/mol
- Monoisotopic mass
- 472.1176829
Names & identifiers
- Preferred name
- 1,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(3-trifluoromethylphenyl)-1-piperazinyl)ethyl)-, hydrochloride
- IUPAC
- 4-(4-fluorophenyl)-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl]-1,3-dioxol-2-one chloride
Names & synonyms
71923-23-41,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-(3-trifluoromethylphenyl)-1-piperazinyl)ethyl)-, hydrochlorideRefChem:218884
Database identifiers
- CAS
71923-23-4- PubChem CID
- 51450
Properties
Computed structural properties
- Topological polar surface area
- 43.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 668
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Compound notes
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