copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane

C2H4ClCuO3P — CID 13424002

IUPACcopper 2-chloroethyl-dioxido-oxo-lambda5-phosphane
SMILESO=P([O-])([O-])CCCl.[Cu+2]
InChIInChI=1S/C2H6ClO3P.Cu/c3-1-2-7(4,5)6;/h1-2H2,(H2,4,5,6);/q;+2/p-2
InChIKeyVOQPVJVZGKQIKU-UHFFFAOYSA-L
MW206.02 g/mol
LogP-0.86
Rot. Bonds2

About copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane

copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane (PubChem CID 13424002) has the molecular formula C2H4ClCuO3P and a molecular weight of 206.02 g/mol. Its IUPAC name is copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane.

Molecular Properties

Compound Namecopper 2-chloroethyl-dioxido-oxo-lambda5-phosphane
PubChem CID13424002
Molecular FormulaC2H4ClCuO3P
Molecular Weight206.02 g/mol
Exact Mass204.89
IUPAC Namecopper 2-chloroethyl-dioxido-oxo-lambda5-phosphane
SMILESO=P([O-])([O-])CCCl.[Cu+2]
InChIInChI=1S/C2H6ClO3P.Cu/c3-1-2-7(4,5)6;/h1-2H2,(H2,4,5,6);/q;+2/p-2
InChIKeyVOQPVJVZGKQIKU-UHFFFAOYSA-L
XLogP-0.86
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.02
LogP ≤ 5-0.86
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-dioxido-oxo-λ5-phosphane);zirconium(4+)
CID 88773242
diazanium;2-chloroethyl-dioxido-oxo-λ5-phosphane
CID 168655255
dioxido-oxo-(3-phosphonatopropyl)-λ5-phosphane;zirconium(4+)
CID 88696209
calcium phosphonatomethanol
CID 154632355
dimagnesium;dioxido-oxo-propyl-λ5-phosphane;dichloride
CID 153434042
tris(3-phosphonatopropanoic acid);bis(titanium(3+))
CID 155387935
dioxido-oxo-tridecyl-λ5-phosphane
CID 23340102
pentacopper;bis(oxygen(2-));diphosphate
CID 173096360
hydroxy(2-hydroxyethyl)phosphinate
CID 25246079
2-aminoethanol;iron(3+);phosphate
CID 87771610
bis(2-chloroethylphosphonic acid);1,1-dimethylhydrazine
CID 13294663
calcium hexadecyl-dioxido-oxo-λ5-phosphane
CID 87400108

Frequently Asked Questions

What is the IUPAC name of copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane?
The IUPAC name of copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane (CID 13424002) is copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane.
What is the SMILES notation for copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane?
The canonical SMILES for copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane is O=P([O-])([O-])CCCl.[Cu+2].
What is the InChIKey of copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane?
The InChIKey is VOQPVJVZGKQIKU-UHFFFAOYSA-L. The full InChI is InChI=1S/C2H6ClO3P.Cu/c3-1-2-7(4,5)6;/h1-2H2,(H2,4,5,6);/q;+2/p-2.
What are the key properties of copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane?
copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane has a molecular weight of 206.02 g/mol, XLogP of -0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper 2-chloroethyl-dioxido-oxo-lambda5-phosphane is sourced from PubChem (CID 13424002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).