1-chloroethenyl(ethoxy)phosphinic acid

C4H8ClO3P — CID 88764233

IUPAC1-chloroethenyl(ethoxy)phosphinic acid
SMILESC=C(Cl)P(=O)(O)OCC
InChIInChI=1S/C4H8ClO3P/c1-3-8-9(6,7)4(2)5/h2-3H2,1H3,(H,6,7)
InChIKeyGWSHTGIGBGNJPD-UHFFFAOYSA-N
MW170.53 g/mol
LogP1.92
Rot. Bonds3

About 1-chloroethenyl(ethoxy)phosphinic acid

1-chloroethenyl(ethoxy)phosphinic acid (PubChem CID 88764233) has the molecular formula C4H8ClO3P and a molecular weight of 170.53 g/mol. Its IUPAC name is 1-chloroethenyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Name1-chloroethenyl(ethoxy)phosphinic acid
PubChem CID88764233
Molecular FormulaC4H8ClO3P
Molecular Weight170.53 g/mol
Exact Mass169.99
IUPAC Name1-chloroethenyl(ethoxy)phosphinic acid
SMILESC=C(Cl)P(=O)(O)OCC
InChIInChI=1S/C4H8ClO3P/c1-3-8-9(6,7)4(2)5/h2-3H2,1H3,(H,6,7)
InChIKeyGWSHTGIGBGNJPD-UHFFFAOYSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.53
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-chloroethenyl(ethoxy)phosphinic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Phosphonic acid, (1-chloroethenyl)-, diethyl ester
CID 11481045
Diethyl P-(2-chloroethynyl)phosphonate
CID 12512933
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
(E)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525126
Dichlorvos water
CID 129720538
1-Chloroethenyl dimethyl phosphate
CID 148260
Diethyl (2,2-dichloroethenyl)phosphonate
CID 12525122
(Z)-1-chloro-1-diethoxyphosphorylprop-1-ene
CID 10798622
1-Chloro-1-[ethoxy(methyl)phosphoryl]ethene
CID 14978789
2,2-Dichlorovinyl hydrogen ethylphosphonate
CID 129807983
2,2-Dichlorovinyl methyl ethylphosphonate
CID 129807987
1,1,2-Trichloro-2-diethoxyphosphorylethene
CID 12525128

Frequently Asked Questions

What is the IUPAC name of 1-chloroethenyl(ethoxy)phosphinic acid?
The IUPAC name of 1-chloroethenyl(ethoxy)phosphinic acid (CID 88764233) is 1-chloroethenyl(ethoxy)phosphinic acid.
What is the SMILES notation for 1-chloroethenyl(ethoxy)phosphinic acid?
The canonical SMILES for 1-chloroethenyl(ethoxy)phosphinic acid is C=C(Cl)P(=O)(O)OCC.
What is the InChIKey of 1-chloroethenyl(ethoxy)phosphinic acid?
The InChIKey is GWSHTGIGBGNJPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8ClO3P/c1-3-8-9(6,7)4(2)5/h2-3H2,1H3,(H,6,7).
What are the key properties of 1-chloroethenyl(ethoxy)phosphinic acid?
1-chloroethenyl(ethoxy)phosphinic acid has a molecular weight of 170.53 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloroethenyl(ethoxy)phosphinic acid is sourced from PubChem (CID 88764233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).