2,2-dichloroethoxy(ethenyl)phosphinic acid

C4H7Cl2O3P — CID 88686770

IUPAC2,2-dichloroethoxy(ethenyl)phosphinic acid
SMILESC=CP(=O)(O)OCC(Cl)Cl
InChIInChI=1S/C4H7Cl2O3P/c1-2-10(7,8)9-3-4(5)6/h2,4H,1,3H2,(H,7,8)
InChIKeyUSFZNTJIEYFMGJ-UHFFFAOYSA-N
MW204.98 g/mol
LogP2.14
Rot. Bonds4

About 2,2-dichloroethoxy(ethenyl)phosphinic acid

2,2-dichloroethoxy(ethenyl)phosphinic acid (PubChem CID 88686770) has the molecular formula C4H7Cl2O3P and a molecular weight of 204.98 g/mol. Its IUPAC name is 2,2-dichloroethoxy(ethenyl)phosphinic acid.

Molecular Properties

Compound Name2,2-dichloroethoxy(ethenyl)phosphinic acid
PubChem CID88686770
Molecular FormulaC4H7Cl2O3P
Molecular Weight204.98 g/mol
Exact Mass203.95
IUPAC Name2,2-dichloroethoxy(ethenyl)phosphinic acid
SMILESC=CP(=O)(O)OCC(Cl)Cl
InChIInChI=1S/C4H7Cl2O3P/c1-2-10(7,8)9-3-4(5)6/h2,4H,1,3H2,(H,7,8)
InChIKeyUSFZNTJIEYFMGJ-UHFFFAOYSA-N
XLogP2.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.98
LogP ≤ 52.14
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 2,2-dichloroethoxy(ethenyl)phosphinic acid?
The IUPAC name of 2,2-dichloroethoxy(ethenyl)phosphinic acid (CID 88686770) is 2,2-dichloroethoxy(ethenyl)phosphinic acid.
What is the SMILES notation for 2,2-dichloroethoxy(ethenyl)phosphinic acid?
The canonical SMILES for 2,2-dichloroethoxy(ethenyl)phosphinic acid is C=CP(=O)(O)OCC(Cl)Cl.
What is the InChIKey of 2,2-dichloroethoxy(ethenyl)phosphinic acid?
The InChIKey is USFZNTJIEYFMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7Cl2O3P/c1-2-10(7,8)9-3-4(5)6/h2,4H,1,3H2,(H,7,8).
What are the key properties of 2,2-dichloroethoxy(ethenyl)phosphinic acid?
2,2-dichloroethoxy(ethenyl)phosphinic acid has a molecular weight of 204.98 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloroethoxy(ethenyl)phosphinic acid is sourced from PubChem (CID 88686770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).