1-[dichloromethyl(ethoxy)phosphoryl]oxyethane

C5H11Cl2O3P — CID 11085347

IUPAC1-[dichloromethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(Cl)Cl
InChIInChI=1S/C5H11Cl2O3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3
InChIKeyXDOKVFJJVSLHDJ-UHFFFAOYSA-N
MW221.02 g/mol
LogP3.01
Rot. Bonds5

About 1-[dichloromethyl(ethoxy)phosphoryl]oxyethane

1-[dichloromethyl(ethoxy)phosphoryl]oxyethane (PubChem CID 11085347) has the molecular formula C5H11Cl2O3P and a molecular weight of 221.02 g/mol. Its IUPAC name is 1-[dichloromethyl(ethoxy)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-[dichloromethyl(ethoxy)phosphoryl]oxyethane
PubChem CID11085347
Molecular FormulaC5H11Cl2O3P
Molecular Weight221.02 g/mol
Exact Mass219.98
IUPAC Name1-[dichloromethyl(ethoxy)phosphoryl]oxyethane
SMILESCCOP(=O)(OCC)C(Cl)Cl
InChIInChI=1S/C5H11Cl2O3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3
InChIKeyXDOKVFJJVSLHDJ-UHFFFAOYSA-N
XLogP3.01
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 53.01
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-[dichloromethyl(ethoxy)phosphoryl]oxyethane?
The IUPAC name of 1-[dichloromethyl(ethoxy)phosphoryl]oxyethane (CID 11085347) is 1-[dichloromethyl(ethoxy)phosphoryl]oxyethane.
What is the SMILES notation for 1-[dichloromethyl(ethoxy)phosphoryl]oxyethane?
The canonical SMILES for 1-[dichloromethyl(ethoxy)phosphoryl]oxyethane is CCOP(=O)(OCC)C(Cl)Cl.
What is the InChIKey of 1-[dichloromethyl(ethoxy)phosphoryl]oxyethane?
The InChIKey is XDOKVFJJVSLHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2O3P/c1-3-9-11(8,5(6)7)10-4-2/h5H,3-4H2,1-2H3.
What are the key properties of 1-[dichloromethyl(ethoxy)phosphoryl]oxyethane?
1-[dichloromethyl(ethoxy)phosphoryl]oxyethane has a molecular weight of 221.02 g/mol, XLogP of 3.01, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[dichloromethyl(ethoxy)phosphoryl]oxyethane is sourced from PubChem (CID 11085347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).