1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane

C5H9Cl4O3P — CID 19814535

IUPAC1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane
SMILESCC(Cl)(Cl)OP(C)(=O)OC(C)(Cl)Cl
InChIInChI=1S/C5H9Cl4O3P/c1-4(6,7)11-13(3,10)12-5(2,8)9/h1-3H3
InChIKeyYKEJFRGSSWNMJU-UHFFFAOYSA-N
MW289.91 g/mol
LogP4.15
Rot. Bonds4

About 1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane

1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane (PubChem CID 19814535) has the molecular formula C5H9Cl4O3P and a molecular weight of 289.91 g/mol. Its IUPAC name is 1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane.

Molecular Properties

Compound Name1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane
PubChem CID19814535
Molecular FormulaC5H9Cl4O3P
Molecular Weight289.91 g/mol
Exact Mass287.90
IUPAC Name1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane
SMILESCC(Cl)(Cl)OP(C)(=O)OC(C)(Cl)Cl
InChIInChI=1S/C5H9Cl4O3P/c1-4(6,7)11-13(3,10)12-5(2,8)9/h1-3H3
InChIKeyYKEJFRGSSWNMJU-UHFFFAOYSA-N
XLogP4.15
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.91
LogP ≤ 54.15
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 1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane?
The IUPAC name of 1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane (CID 19814535) is 1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane.
What is the SMILES notation for 1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane?
The canonical SMILES for 1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane is CC(Cl)(Cl)OP(C)(=O)OC(C)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane?
The InChIKey is YKEJFRGSSWNMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Cl4O3P/c1-4(6,7)11-13(3,10)12-5(2,8)9/h1-3H3.
What are the key properties of 1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane?
1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane has a molecular weight of 289.91 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1-[1,1-dichloroethoxy(methyl)phosphoryl]oxyethane is sourced from PubChem (CID 19814535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).