2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide

C2H4ClO3P — CID 58185137

IUPAC2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide
SMILES[2H]C1([2H])OP(=O)(Cl)OC1([2H])[2H]
InChIInChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2/i1D2,2D2
InChIKeySBMUNILHNJLMBF-LNLMKGTHSA-N
MW146.50 g/mol
LogP1.38
Rot. Bonds

About 2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide

2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 58185137) has the molecular formula C2H4ClO3P and a molecular weight of 146.50 g/mol. Its IUPAC name is 2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID58185137
Molecular FormulaC2H4ClO3P
Molecular Weight146.50 g/mol
Exact Mass145.98
IUPAC Name2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide
SMILES[2H]C1([2H])OP(=O)(Cl)OC1([2H])[2H]
InChIInChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2/i1D2,2D2
InChIKeySBMUNILHNJLMBF-LNLMKGTHSA-N
XLogP1.38
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.50
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide (CID 58185137) is 2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide is [2H]C1([2H])OP(=O)(Cl)OC1([2H])[2H].
What is the InChIKey of 2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is SBMUNILHNJLMBF-LNLMKGTHSA-N. The full InChI is InChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2/i1D2,2D2.
What are the key properties of 2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide?
2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 146.50 g/mol, XLogP of 1.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,4,5,5-tetradeuterio-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 58185137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).