Compound C22H21ClF4N2O3

4-(4-fluorophenyl)-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl]-1,3-dioxol-2-one chloride

CAS: 71923-23-4

Molecular Formula	`C22H21ClF4N2O3`
Molecular Weight	472.9 g/mol
Topological Polar Surface Area	43.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	472.11768
Heavy Atoms	32
Complexity	668.0

Chemical Identifiers

CAS Number	71923-23-4
SMILES	`C1CN(CC[NH+]1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC(=C4)C(F)(F)F.[Cl-]`
InChIKey	`VCYBANKNPXVPKU-UHFFFAOYSA-N`

📖 Product Overview

Compound C22H21ClF4N2O3 (CAS: 71923-23-4) is a chemical compound with molecular formula C22H21ClF4N2O3 and molecular weight 472.9 g/mol. Its IUPAC systematic name is 4-(4-fluorophenyl)-5-[2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]ethyl]-1,3-dioxol-2-one chloride. Topological Polar Surface Area 43.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 9 Rotatable Bonds 5 Exact Mass 472.11768 Heavy Atoms 32 Complexity 668.0 InChI Key: VCYBANKNPXVPKU-UHFFFAOYSA-N. SMILES: C1CN(CC[NH+]1CCC2=C(OC(=O)O2)C3=CC=C(C=C3)F)C4=CC=CC(=C4)C(F)(F)F.[Cl-].

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