2-dichlorooxyphosphorylethylphosphonic acid

C2H6Cl2O6P2 — CID 88640025

IUPAC2-dichlorooxyphosphorylethylphosphonic acid
SMILESO=P(O)(O)CCP(=O)(OCl)OCl
InChIInChI=1S/C2H6Cl2O6P2/c3-9-12(8,10-4)2-1-11(5,6)7/h1-2H2,(H2,5,6,7)
InChIKeyAUNOABFMUXLZLT-UHFFFAOYSA-N
MW258.92 g/mol
LogP1.70
Rot. Bonds5

About 2-dichlorooxyphosphorylethylphosphonic acid

2-dichlorooxyphosphorylethylphosphonic acid (PubChem CID 88640025) has the molecular formula C2H6Cl2O6P2 and a molecular weight of 258.92 g/mol. Its IUPAC name is 2-dichlorooxyphosphorylethylphosphonic acid.

Molecular Properties

Compound Name2-dichlorooxyphosphorylethylphosphonic acid
PubChem CID88640025
Molecular FormulaC2H6Cl2O6P2
Molecular Weight258.92 g/mol
Exact Mass257.90
IUPAC Name2-dichlorooxyphosphorylethylphosphonic acid
SMILESO=P(O)(O)CCP(=O)(OCl)OCl
InChIInChI=1S/C2H6Cl2O6P2/c3-9-12(8,10-4)2-1-11(5,6)7/h1-2H2,(H2,5,6,7)
InChIKeyAUNOABFMUXLZLT-UHFFFAOYSA-N
XLogP1.70
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.92
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[chlorooxy(2-phenylethyl)phosphoryl] hypochlorite
CID 162515513
[chlorooxy(ethyl)phosphoryl] hypochlorite
CID 139922572
5-phosphonopentylphosphonic acid
CID 2773804
chloro(chlorooxy)phosphinic acid;phosphoric acid
CID 158658993
2-[hydroxy(2-hydroxyethoxy)phosphoryl]ethylphosphonic acid
CID 175439320
3-phosphonopropanoic acid;zirconium
CID 88720720
3,3-dichloropropylphosphonic acid
CID 91996618
3-phosphonopropanethioic S-acid
CID 174946197
tetrapotassium;hydride;2-hydroxyethylphosphonic acid
CID 175031872
methyl hypochlorite;phosphoric acid
CID 175163315
[ethoxy(ethyl)phosphoryl] hypochlorite
CID 87057693
bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine
CID 13294663

Frequently Asked Questions

What is the IUPAC name of 2-dichlorooxyphosphorylethylphosphonic acid?
The IUPAC name of 2-dichlorooxyphosphorylethylphosphonic acid (CID 88640025) is 2-dichlorooxyphosphorylethylphosphonic acid.
What is the SMILES notation for 2-dichlorooxyphosphorylethylphosphonic acid?
The canonical SMILES for 2-dichlorooxyphosphorylethylphosphonic acid is O=P(O)(O)CCP(=O)(OCl)OCl.
What is the InChIKey of 2-dichlorooxyphosphorylethylphosphonic acid?
The InChIKey is AUNOABFMUXLZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6Cl2O6P2/c3-9-12(8,10-4)2-1-11(5,6)7/h1-2H2,(H2,5,6,7).
What are the key properties of 2-dichlorooxyphosphorylethylphosphonic acid?
2-dichlorooxyphosphorylethylphosphonic acid has a molecular weight of 258.92 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dichlorooxyphosphorylethylphosphonic acid is sourced from PubChem (CID 88640025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).