Basic information
- CAS
71922-95-7- Standard SMILES
Cl.Cl.O=c1oc(CCN2CCN(c3ccccc3)CC2)c(-c2ccc(F)cc2)o1- InChIKey
OTOHQQXGSVLDIS-UHFFFAOYSA-N- Molecular formula
- C21H23Cl2FN2O3
- Average molar mass
- 441.3 g/mol
- Monoisotopic mass
- 440.1069762
Names & identifiers
- Preferred name
- 1,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochloride
- IUPAC
- 4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochloride
Names & synonyms
71922-95-74-(4-Fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-1,3-dioxol-2-one dihydrochlorideEINECS 276-182-21,3-Dioxol-2-one, 4-(4-fluorophenyl)-5-(2-(4-phenyl-1-piperazinyl)ethyl)-, dihydrochloride4-(4-fluorophenyl)-5-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3-dioxol-2-one dihydrochlorideRefChem:218885276-182-2Fludoxopone Dihydrochloride4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-dioxol-2-one;dihydrochlorideSCHEMBL11477891DTXSID90992622OTOHQQXGSVLDIS-UHFFFAOYSA-N
Show more names
NS000619424-(4-Fluorophenyl)-5-[2-(4-phenyl-1-piperazinyl)ethyl]-1,3-dioxol-2-one Dihydrochloride;4-(4-Fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-2H-1,3-dioxol-2-one--hydrogen chloride (1/2)
Database identifiers
- CAS
71922-95-7- PubChem CID
- 51440
- DTXSID
DTXSID90992622
Properties
Computed structural properties
- Topological polar surface area
- 42 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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