2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide

C2H4ClO3P — CID 123782628

IUPAC2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide
SMILES[2H]C1COP(=O)(Cl)O1
InChIInChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2/i1D
InChIKeySBMUNILHNJLMBF-MICDWDOJSA-N
MW143.48 g/mol
LogP1.38
Rot. Bonds

About 2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide

2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide (PubChem CID 123782628) has the molecular formula C2H4ClO3P and a molecular weight of 143.48 g/mol. Its IUPAC name is 2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide.

Molecular Properties

Compound Name2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide
PubChem CID123782628
Molecular FormulaC2H4ClO3P
Molecular Weight143.48 g/mol
Exact Mass142.96
IUPAC Name2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide
SMILES[2H]C1COP(=O)(Cl)O1
InChIInChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2/i1D
InChIKeySBMUNILHNJLMBF-MICDWDOJSA-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 ≤ 500143.48
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide?
The IUPAC name of 2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide (CID 123782628) is 2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide.
What is the SMILES notation for 2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide?
The canonical SMILES for 2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide is [2H]C1COP(=O)(Cl)O1.
What is the InChIKey of 2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide?
The InChIKey is SBMUNILHNJLMBF-MICDWDOJSA-N. The full InChI is InChI=1S/C2H4ClO3P/c3-7(4)5-1-2-6-7/h1-2H2/i1D.
What are the key properties of 2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide?
2-chloro-4-deuterio-1,3,2λ5-dioxaphospholane 2-oxide has a molecular weight of 143.48 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-deuterio-1,3,2λ5-dioxaphospholane 2-oxide is sourced from PubChem (CID 123782628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).