1,1,2-trichloro-2-dimethoxyphosphorylethene

C4H6Cl3O3P — CID 12525127

IUPAC1,1,2-trichloro-2-dimethoxyphosphorylethene
SMILESCOP(=O)(OC)C(Cl)=C(Cl)Cl
InChIInChI=1S/C4H6Cl3O3P/c1-9-11(8,10-2)4(7)3(5)6/h1-2H3
InChIKeyQQSBHVWKKMMENV-UHFFFAOYSA-N
MW239.42 g/mol
LogP3.32
Rot. Bonds3

About 1,1,2-trichloro-2-dimethoxyphosphorylethene

1,1,2-trichloro-2-dimethoxyphosphorylethene (PubChem CID 12525127) has the molecular formula C4H6Cl3O3P and a molecular weight of 239.42 g/mol. Its IUPAC name is 1,1,2-trichloro-2-dimethoxyphosphorylethene.

Molecular Properties

Compound Name1,1,2-trichloro-2-dimethoxyphosphorylethene
PubChem CID12525127
Molecular FormulaC4H6Cl3O3P
Molecular Weight239.42 g/mol
Exact Mass237.91
IUPAC Name1,1,2-trichloro-2-dimethoxyphosphorylethene
SMILESCOP(=O)(OC)C(Cl)=C(Cl)Cl
InChIInChI=1S/C4H6Cl3O3P/c1-9-11(8,10-2)4(7)3(5)6/h1-2H3
InChIKeyQQSBHVWKKMMENV-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.42
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-2-dimethoxyphosphorylethene?
The IUPAC name of 1,1,2-trichloro-2-dimethoxyphosphorylethene (CID 12525127) is 1,1,2-trichloro-2-dimethoxyphosphorylethene.
What is the SMILES notation for 1,1,2-trichloro-2-dimethoxyphosphorylethene?
The canonical SMILES for 1,1,2-trichloro-2-dimethoxyphosphorylethene is COP(=O)(OC)C(Cl)=C(Cl)Cl.
What is the InChIKey of 1,1,2-trichloro-2-dimethoxyphosphorylethene?
The InChIKey is QQSBHVWKKMMENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Cl3O3P/c1-9-11(8,10-2)4(7)3(5)6/h1-2H3.
What are the key properties of 1,1,2-trichloro-2-dimethoxyphosphorylethene?
1,1,2-trichloro-2-dimethoxyphosphorylethene has a molecular weight of 239.42 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-2-dimethoxyphosphorylethene is sourced from PubChem (CID 12525127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).