1,1-dichloro-2-dimethoxyphosphorylethene

C4H7Cl2O3P — CID 12525121

IUPAC1,1-dichloro-2-dimethoxyphosphorylethene
SMILESCOP(=O)(C=C(Cl)Cl)OC
InChIInChI=1S/C4H7Cl2O3P/c1-8-10(7,9-2)3-4(5)6/h3H,1-2H3
InChIKeyFVOISMWGIRCHNF-UHFFFAOYSA-N
MW204.98 g/mol
LogP2.75
Rot. Bonds3

About 1,1-dichloro-2-dimethoxyphosphorylethene

1,1-dichloro-2-dimethoxyphosphorylethene (PubChem CID 12525121) has the molecular formula C4H7Cl2O3P and a molecular weight of 204.98 g/mol. Its IUPAC name is 1,1-dichloro-2-dimethoxyphosphorylethene.

Molecular Properties

Compound Name1,1-dichloro-2-dimethoxyphosphorylethene
PubChem CID12525121
Molecular FormulaC4H7Cl2O3P
Molecular Weight204.98 g/mol
Exact Mass203.95
IUPAC Name1,1-dichloro-2-dimethoxyphosphorylethene
SMILESCOP(=O)(C=C(Cl)Cl)OC
InChIInChI=1S/C4H7Cl2O3P/c1-8-10(7,9-2)3-4(5)6/h3H,1-2H3
InChIKeyFVOISMWGIRCHNF-UHFFFAOYSA-N
XLogP2.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.98
LogP ≤ 52.75
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-dichloro-2-dimethoxyphosphorylethene?
The IUPAC name of 1,1-dichloro-2-dimethoxyphosphorylethene (CID 12525121) is 1,1-dichloro-2-dimethoxyphosphorylethene.
What is the SMILES notation for 1,1-dichloro-2-dimethoxyphosphorylethene?
The canonical SMILES for 1,1-dichloro-2-dimethoxyphosphorylethene is COP(=O)(C=C(Cl)Cl)OC.
What is the InChIKey of 1,1-dichloro-2-dimethoxyphosphorylethene?
The InChIKey is FVOISMWGIRCHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2O3P/c1-8-10(7,9-2)3-4(5)6/h3H,1-2H3.
What are the key properties of 1,1-dichloro-2-dimethoxyphosphorylethene?
1,1-dichloro-2-dimethoxyphosphorylethene has a molecular weight of 204.98 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-2-dimethoxyphosphorylethene is sourced from PubChem (CID 12525121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).