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

C6H11Cl2O3P — CID 8296

IUPAC1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane
SMILESC=CP(=O)(OCCCl)OCCCl
InChIInChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2
InChIKeyLHHMNJZNWUJFOC-UHFFFAOYSA-N
MW233.03 g/mol
LogP2.83
Rot. Bonds7

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

1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane (PubChem CID 8296) has the molecular formula C6H11Cl2O3P and a molecular weight of 233.03 g/mol. Its IUPAC name is 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane
PubChem CID8296
Molecular FormulaC6H11Cl2O3P
Molecular Weight233.03 g/mol
Exact Mass231.98
IUPAC Name1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane
SMILESC=CP(=O)(OCCCl)OCCCl
InChIInChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2
InChIKeyLHHMNJZNWUJFOC-UHFFFAOYSA-N
XLogP2.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.03
LogP ≤ 52.83
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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Related Compounds

Bis(2-chloroethyl) P-(2-chloroethyl)phosphonate
CID 80518
(2-Chloroethoxy)(2-chloroethyl)phosphinic acid
CID 12800883
2-Chloroethyl 2,2-dichloroethenyl ethylphosphonate
CID 44150837
Methyl(vinyl)phosphinic acid 2-chloroethylester
CID 14512990
(Z)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525125
(E)-1,2-dichloro-1-diethoxyphosphorylethene
CID 12525126
2-Chloroethyl (2-chloroethyl)phosphonochloridate
CID 12880051
Bis(2-chloroethyl)vinyl phosphate
CID 23271225
Vinylphosphonsauredichlorathylester
CID 88686770
1-Chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane;[methoxy(methyl)phosphoryl]oxymethane
CID 88804604
2-Chloroethoxy(ethenyl)phosphinic acid
CID 20262119
(Z)-1-chloro-2-diethoxyphosphorylethene
CID 21765863

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane?
The IUPAC name of 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane (CID 8296) is 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane.
What is the SMILES notation for 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane?
The canonical SMILES for 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane is C=CP(=O)(OCCCl)OCCCl.
What is the InChIKey of 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane?
The InChIKey is LHHMNJZNWUJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Cl2O3P/c1-2-12(9,10-5-3-7)11-6-4-8/h2H,1,3-6H2.
What are the key properties of 1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane?
1-chloro-2-[2-chloroethoxy(ethenyl)phosphoryl]oxyethane has a molecular weight of 233.03 g/mol, XLogP of 2.83, 7 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(ethenyl)phosphoryl]oxyethane is sourced from PubChem (CID 8296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).