[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate

C11H12Cl4NO2P — CID 6446895

IUPAC[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate
SMILESC[N+](C)=C/C=C(\Cl)c1ccc(Cl)cc1.O=P([O-])(Cl)Cl
InChIInChI=1S/C11H12Cl2N.Cl2HO2P/c1-14(2)8-7-11(13)9-3-5-10(12)6-4-9;1-5(2,3)4/h3-8H,1-2H3;(H,3,4)/q+1;/p-1/b11-7-;
InChIKeyOLENMILJACHWSO-AJULUCINSA-M
MW363.01 g/mol
LogP4.20
Rot. Bonds2

About [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate

[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate (PubChem CID 6446895) has the molecular formula C11H12Cl4NO2P and a molecular weight of 363.01 g/mol. Its IUPAC name is [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate.

Molecular Properties

Compound Name[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate
PubChem CID6446895
Molecular FormulaC11H12Cl4NO2P
Molecular Weight363.01 g/mol
Exact Mass360.94
IUPAC Name[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate
SMILESC[N+](C)=C/C=C(\Cl)c1ccc(Cl)cc1.O=P([O-])(Cl)Cl
InChIInChI=1S/C11H12Cl2N.Cl2HO2P/c1-14(2)8-7-11(13)9-3-5-10(12)6-4-9;1-5(2,3)4/h3-8H,1-2H3;(H,3,4)/q+1;/p-1/b11-7-;
InChIKeyOLENMILJACHWSO-AJULUCINSA-M
XLogP4.20
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.01
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

[(E)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium perchlorate
CID 135052899
[(E)-3-chloro-3-(4-methylphenyl)prop-2-enylidene]-dimethylazanium
CID 93012319
[(E)-3-chloro-3-(4-cyanophenyl)prop-2-enylidene]-dimethylazanium perchlorate
CID 140850303
[(Z)-3-chloro-3-(4-propylphenyl)prop-2-enylidene]-dimethylazanium perchlorate
CID 10783064
1-chloro-4-[(1Z)-1-chloro-4-methylpenta-1,3-dienyl]benzene
CID 12881547
1-chloro-4-[(E)-1-chloro-2-iodoethenyl]benzene
CID 166064052
(Z,1S)-3-chloro-3-(4-chlorophenyl)-1-dimethoxyphosphorylprop-2-en-1-ol
CID 7018978
2-[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]propanedinitrile
CID 5473313
1-chloro-4-(1,3-dichloro-4,4-dimethylhex-1-enyl)benzene
CID 88784401
1-[(E)-2-chloro-2-(4-chlorophenyl)ethenyl]sulfonyl-4-methylbenzene
CID 141461209
1,4-dichlorobenzene;phosphoric acid
CID 175035024
(E)-3-chloro-3-(4-chlorophenyl)prop-2-en-1-ol
CID 87277386

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate?
The IUPAC name of [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate (CID 6446895) is [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate.
What is the SMILES notation for [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate?
The canonical SMILES for [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate is C[N+](C)=C/C=C(\Cl)c1ccc(Cl)cc1.O=P([O-])(Cl)Cl.
What is the InChIKey of [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate?
The InChIKey is OLENMILJACHWSO-AJULUCINSA-M. The full InChI is InChI=1S/C11H12Cl2N.Cl2HO2P/c1-14(2)8-7-11(13)9-3-5-10(12)6-4-9;1-5(2,3)4/h3-8H,1-2H3;(H,3,4)/q+1;/p-1/b11-7-;.
What are the key properties of [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate?
[(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate has a molecular weight of 363.01 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chloro-3-(4-chlorophenyl)prop-2-enylidene]-dimethylazanium;dichlorophosphinate is sourced from PubChem (CID 6446895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).