1,1-dichloroethoxy(ethenyl)phosphinic acid

C4H7Cl2O3P — CID 54414764

IUPAC1,1-dichloroethoxy(ethenyl)phosphinic acid
SMILESC=CP(=O)(O)OC(C)(Cl)Cl
InChIInChI=1S/C4H7Cl2O3P/c1-3-10(7,8)9-4(2,5)6/h3H,1H2,2H3,(H,7,8)
InChIKeyVWQCPPKEMGEHDV-UHFFFAOYSA-N
MW204.98 g/mol
LogP2.48
Rot. Bonds3

About 1,1-dichloroethoxy(ethenyl)phosphinic acid

1,1-dichloroethoxy(ethenyl)phosphinic acid (PubChem CID 54414764) has the molecular formula C4H7Cl2O3P and a molecular weight of 204.98 g/mol. Its IUPAC name is 1,1-dichloroethoxy(ethenyl)phosphinic acid.

Molecular Properties

Compound Name1,1-dichloroethoxy(ethenyl)phosphinic acid
PubChem CID54414764
Molecular FormulaC4H7Cl2O3P
Molecular Weight204.98 g/mol
Exact Mass203.95
IUPAC Name1,1-dichloroethoxy(ethenyl)phosphinic acid
SMILESC=CP(=O)(O)OC(C)(Cl)Cl
InChIInChI=1S/C4H7Cl2O3P/c1-3-10(7,8)9-4(2,5)6/h3H,1H2,2H3,(H,7,8)
InChIKeyVWQCPPKEMGEHDV-UHFFFAOYSA-N
XLogP2.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.98
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dichloroethoxy(ethenyl)phosphinic acid?
The IUPAC name of 1,1-dichloroethoxy(ethenyl)phosphinic acid (CID 54414764) is 1,1-dichloroethoxy(ethenyl)phosphinic acid.
What is the SMILES notation for 1,1-dichloroethoxy(ethenyl)phosphinic acid?
The canonical SMILES for 1,1-dichloroethoxy(ethenyl)phosphinic acid is C=CP(=O)(O)OC(C)(Cl)Cl.
What is the InChIKey of 1,1-dichloroethoxy(ethenyl)phosphinic acid?
The InChIKey is VWQCPPKEMGEHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2O3P/c1-3-10(7,8)9-4(2,5)6/h3H,1H2,2H3,(H,7,8).
What are the key properties of 1,1-dichloroethoxy(ethenyl)phosphinic acid?
1,1-dichloroethoxy(ethenyl)phosphinic acid has a molecular weight of 204.98 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloroethoxy(ethenyl)phosphinic acid is sourced from PubChem (CID 54414764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).