1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane

C4H8Cl3O3P — CID 14591288

IUPAC1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane
SMILESCC(Cl)OP(=O)(Cl)OC(C)Cl
InChIInChI=1S/C4H8Cl3O3P/c1-3(5)9-11(7,8)10-4(2)6/h3-4H,1-2H3
InChIKeyAJIPSEFDJQKGMH-UHFFFAOYSA-N
MW241.44 g/mol
LogP3.54
Rot. Bonds4

About 1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane

1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane (PubChem CID 14591288) has the molecular formula C4H8Cl3O3P and a molecular weight of 241.44 g/mol. Its IUPAC name is 1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane
PubChem CID14591288
Molecular FormulaC4H8Cl3O3P
Molecular Weight241.44 g/mol
Exact Mass239.93
IUPAC Name1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane
SMILESCC(Cl)OP(=O)(Cl)OC(C)Cl
InChIInChI=1S/C4H8Cl3O3P/c1-3(5)9-11(7,8)10-4(2)6/h3-4H,1-2H3
InChIKeyAJIPSEFDJQKGMH-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.44
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane 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 1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane?
The IUPAC name of 1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane (CID 14591288) is 1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane?
The canonical SMILES for 1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane is CC(Cl)OP(=O)(Cl)OC(C)Cl.
What is the InChIKey of 1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane?
The InChIKey is AJIPSEFDJQKGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8Cl3O3P/c1-3(5)9-11(7,8)10-4(2)6/h3-4H,1-2H3.
What are the key properties of 1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane?
1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane has a molecular weight of 241.44 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-1-[chloro(1-chloroethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 14591288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).