dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane

C2H2Cl3O3P-2 — CID 19347926

IUPACdioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane
SMILESO=P([O-])([O-])C(Cl)(Cl)CCl
InChIInChI=1S/C2H4Cl3O3P/c3-1-2(4,5)9(6,7)8/h1H2,(H2,6,7,8)/p-2
InChIKeyGWBKZNXVVBRRHY-UHFFFAOYSA-L
MW211.37 g/mol
LogP0.27
Rot. Bonds2

About dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane

dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane (PubChem CID 19347926) has the molecular formula C2H2Cl3O3P-2 and a molecular weight of 211.37 g/mol. Its IUPAC name is dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane.

Molecular Properties

Compound Namedioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane
PubChem CID19347926
Molecular FormulaC2H2Cl3O3P-2
Molecular Weight211.37 g/mol
Exact Mass209.88
IUPAC Namedioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane
SMILESO=P([O-])([O-])C(Cl)(Cl)CCl
InChIInChI=1S/C2H4Cl3O3P/c3-1-2(4,5)9(6,7)8/h1H2,(H2,6,7,8)/p-2
InChIKeyGWBKZNXVVBRRHY-UHFFFAOYSA-L
XLogP0.27
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.37
LogP ≤ 50.27
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

disodium;[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane
CID 23619782
3-(chloromethyl)pentan-3-yl-dioxido-oxo-λ5-phosphane
CID 91873465
[dichloro(phosphonato)methyl]-dioxido-oxo-λ5-phosphane;bis(lead(2+))
CID 88723359
1,1,1,2-tetrachloroethane
CID 12418
pentakis(gadolinium(3+));pentaphosphate
CID 173142296
bis(gadolinium(3+)) diphosphate
CID 172754975
copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane
CID 13424002
diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane
CID 168655255
bis(2-chloroethyl-dioxido-oxo-λ5-phosphane);zirconium(4+)
CID 88773242
[5-chloro-3-(2-chloroethyl)pent-1-en-3-yl]-dioxido-oxo-λ5-phosphane
CID 22756743
2-phosphonatopropan-2-yl-[2-(2-phosphonatopropan-2-ylazaniumyl)ethyl]azanium
CID 3455058
zinc;niobium(5+);phosphate
CID 158075455

Frequently Asked Questions

What is the IUPAC name of dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane?
The IUPAC name of dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane (CID 19347926) is dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane.
What is the SMILES notation for dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane?
The canonical SMILES for dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane is O=P([O-])([O-])C(Cl)(Cl)CCl.
What is the InChIKey of dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane?
The InChIKey is GWBKZNXVVBRRHY-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H4Cl3O3P/c3-1-2(4,5)9(6,7)8/h1H2,(H2,6,7,8)/p-2.
What are the key properties of dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane?
dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane has a molecular weight of 211.37 g/mol, XLogP of 0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dioxido-oxo-(1,1,2-trichloroethyl)-lambda5-phosphane is sourced from PubChem (CID 19347926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).