2-chloroethoxy(2-chloroethyl)phosphinic acid

C4H9Cl2O3P — CID 12800883

IUPAC2-chloroethoxy(2-chloroethyl)phosphinic acid
SMILESO=P(O)(CCCl)OCCCl
InChIInChI=1S/C4H9Cl2O3P/c5-1-3-9-10(7,8)4-2-6/h1-4H2,(H,7,8)
InChIKeyNLAFDAIUYHCRGU-UHFFFAOYSA-N
MW206.99 g/mol
LogP1.67
Rot. Bonds5

About 2-chloroethoxy(2-chloroethyl)phosphinic acid

2-chloroethoxy(2-chloroethyl)phosphinic acid (PubChem CID 12800883) has the molecular formula C4H9Cl2O3P and a molecular weight of 206.99 g/mol. Its IUPAC name is 2-chloroethoxy(2-chloroethyl)phosphinic acid.

Molecular Properties

Compound Name2-chloroethoxy(2-chloroethyl)phosphinic acid
PubChem CID12800883
Molecular FormulaC4H9Cl2O3P
Molecular Weight206.99 g/mol
Exact Mass205.97
IUPAC Name2-chloroethoxy(2-chloroethyl)phosphinic acid
SMILESO=P(O)(CCCl)OCCCl
InChIInChI=1S/C4H9Cl2O3P/c5-1-3-9-10(7,8)4-2-6/h1-4H2,(H,7,8)
InChIKeyNLAFDAIUYHCRGU-UHFFFAOYSA-N
XLogP1.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.99
LogP ≤ 51.67
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'}

Analyze 2-chloroethoxy(2-chloroethyl)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

Frequently Asked Questions

What is the IUPAC name of 2-chloroethoxy(2-chloroethyl)phosphinic acid?
The IUPAC name of 2-chloroethoxy(2-chloroethyl)phosphinic acid (CID 12800883) is 2-chloroethoxy(2-chloroethyl)phosphinic acid.
What is the SMILES notation for 2-chloroethoxy(2-chloroethyl)phosphinic acid?
The canonical SMILES for 2-chloroethoxy(2-chloroethyl)phosphinic acid is O=P(O)(CCCl)OCCCl.
What is the InChIKey of 2-chloroethoxy(2-chloroethyl)phosphinic acid?
The InChIKey is NLAFDAIUYHCRGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9Cl2O3P/c5-1-3-9-10(7,8)4-2-6/h1-4H2,(H,7,8).
What are the key properties of 2-chloroethoxy(2-chloroethyl)phosphinic acid?
2-chloroethoxy(2-chloroethyl)phosphinic acid has a molecular weight of 206.99 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroethoxy(2-chloroethyl)phosphinic acid is sourced from PubChem (CID 12800883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).