1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane

C5H11Cl2O3P — CID 5018110

IUPAC1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane
SMILESCP(=O)(OCCCl)OCCCl
InChIInChI=1S/C5H11Cl2O3P/c1-11(8,9-4-2-6)10-5-3-7/h2-5H2,1H3
InChIKeyIPTIBLAAEZFRHZ-UHFFFAOYSA-N
MW221.02 g/mol
LogP2.32
Rot. Bonds6

About 1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane

1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane (PubChem CID 5018110) has the molecular formula C5H11Cl2O3P and a molecular weight of 221.02 g/mol. Its IUPAC name is 1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane
PubChem CID5018110
Molecular FormulaC5H11Cl2O3P
Molecular Weight221.02 g/mol
Exact Mass219.98
IUPAC Name1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane
SMILESCP(=O)(OCCCl)OCCCl
InChIInChI=1S/C5H11Cl2O3P/c1-11(8,9-4-2-6)10-5-3-7/h2-5H2,1H3
InChIKeyIPTIBLAAEZFRHZ-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 52.32
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-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane?
The IUPAC name of 1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane (CID 5018110) is 1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane?
The canonical SMILES for 1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane is CP(=O)(OCCCl)OCCCl.
What is the InChIKey of 1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane?
The InChIKey is IPTIBLAAEZFRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Cl2O3P/c1-11(8,9-4-2-6)10-5-3-7/h2-5H2,1H3.
What are the key properties of 1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane?
1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane has a molecular weight of 221.02 g/mol, XLogP of 2.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-chloroethoxy(methyl)phosphoryl]oxyethane is sourced from PubChem (CID 5018110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).