1,1,2-trichloro-2-diethoxyphosphorylethene

C6H10Cl3O3P — CID 12525128

IUPAC1,1,2-trichloro-2-diethoxyphosphorylethene
SMILESCCOP(=O)(OCC)C(Cl)=C(Cl)Cl
InChIInChI=1S/C6H10Cl3O3P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h3-4H2,1-2H3
InChIKeyYCXPGCDLIRLFCS-UHFFFAOYSA-N
MW267.48 g/mol
LogP4.10
Rot. Bonds5

About 1,1,2-trichloro-2-diethoxyphosphorylethene

1,1,2-trichloro-2-diethoxyphosphorylethene (PubChem CID 12525128) has the molecular formula C6H10Cl3O3P and a molecular weight of 267.48 g/mol. Its IUPAC name is 1,1,2-trichloro-2-diethoxyphosphorylethene.

Molecular Properties

Compound Name1,1,2-trichloro-2-diethoxyphosphorylethene
PubChem CID12525128
Molecular FormulaC6H10Cl3O3P
Molecular Weight267.48 g/mol
Exact Mass265.94
IUPAC Name1,1,2-trichloro-2-diethoxyphosphorylethene
SMILESCCOP(=O)(OCC)C(Cl)=C(Cl)Cl
InChIInChI=1S/C6H10Cl3O3P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h3-4H2,1-2H3
InChIKeyYCXPGCDLIRLFCS-UHFFFAOYSA-N
XLogP4.10
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.48
LogP ≤ 54.10
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-diethoxyphosphorylethene?
The IUPAC name of 1,1,2-trichloro-2-diethoxyphosphorylethene (CID 12525128) is 1,1,2-trichloro-2-diethoxyphosphorylethene.
What is the SMILES notation for 1,1,2-trichloro-2-diethoxyphosphorylethene?
The canonical SMILES for 1,1,2-trichloro-2-diethoxyphosphorylethene is CCOP(=O)(OCC)C(Cl)=C(Cl)Cl.
What is the InChIKey of 1,1,2-trichloro-2-diethoxyphosphorylethene?
The InChIKey is YCXPGCDLIRLFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10Cl3O3P/c1-3-11-13(10,12-4-2)6(9)5(7)8/h3-4H2,1-2H3.
What are the key properties of 1,1,2-trichloro-2-diethoxyphosphorylethene?
1,1,2-trichloro-2-diethoxyphosphorylethene has a molecular weight of 267.48 g/mol, XLogP of 4.10, 5 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-diethoxyphosphorylethene is sourced from PubChem (CID 12525128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).