bis(2-chloroethoxy)phosphorylformaldehyde

C5H9Cl2O4P — CID 71358055

IUPACbis(2-chloroethoxy)phosphorylformaldehyde
SMILESO=CP(=O)(OCCCl)OCCCl
InChIInChI=1S/C5H9Cl2O4P/c6-1-3-10-12(9,5-8)11-4-2-7/h5H,1-4H2
InChIKeyDXGVTUDBHYGHAJ-UHFFFAOYSA-N
MW235.00 g/mol
LogP1.88
Rot. Bonds7

About bis(2-chloroethoxy)phosphorylformaldehyde

bis(2-chloroethoxy)phosphorylformaldehyde (PubChem CID 71358055) has the molecular formula C5H9Cl2O4P and a molecular weight of 235.00 g/mol. Its IUPAC name is bis(2-chloroethoxy)phosphorylformaldehyde.

Molecular Properties

Compound Namebis(2-chloroethoxy)phosphorylformaldehyde
PubChem CID71358055
Molecular FormulaC5H9Cl2O4P
Molecular Weight235.00 g/mol
Exact Mass233.96
IUPAC Namebis(2-chloroethoxy)phosphorylformaldehyde
SMILESO=CP(=O)(OCCCl)OCCCl
InChIInChI=1S/C5H9Cl2O4P/c6-1-3-10-12(9,5-8)11-4-2-7/h5H,1-4H2
InChIKeyDXGVTUDBHYGHAJ-UHFFFAOYSA-N
XLogP1.88
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.00
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze bis(2-chloroethoxy)phosphorylformaldehyde 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 bis(2-chloroethoxy)phosphorylformaldehyde?
The IUPAC name of bis(2-chloroethoxy)phosphorylformaldehyde (CID 71358055) is bis(2-chloroethoxy)phosphorylformaldehyde.
What is the SMILES notation for bis(2-chloroethoxy)phosphorylformaldehyde?
The canonical SMILES for bis(2-chloroethoxy)phosphorylformaldehyde is O=CP(=O)(OCCCl)OCCCl.
What is the InChIKey of bis(2-chloroethoxy)phosphorylformaldehyde?
The InChIKey is DXGVTUDBHYGHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl2O4P/c6-1-3-10-12(9,5-8)11-4-2-7/h5H,1-4H2.
What are the key properties of bis(2-chloroethoxy)phosphorylformaldehyde?
bis(2-chloroethoxy)phosphorylformaldehyde has a molecular weight of 235.00 g/mol, XLogP of 1.88, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-chloroethoxy)phosphorylformaldehyde is sourced from PubChem (CID 71358055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).