2-bromo-1,3,2-dioxaphospholane

C2H4BrO2P — CID 14272991

IUPAC2-bromo-1,3,2-dioxaphospholane
SMILESBrP1OCCO1
InChIInChI=1S/C2H4BrO2P/c3-6-4-1-2-5-6/h1-2H2
InChIKeyAXEYVSZQBDLFJE-UHFFFAOYSA-N
MW170.93 g/mol
LogP1.65
Rot. Bonds

About 2-bromo-1,3,2-dioxaphospholane

2-bromo-1,3,2-dioxaphospholane (PubChem CID 14272991) has the molecular formula C2H4BrO2P and a molecular weight of 170.93 g/mol. Its IUPAC name is 2-bromo-1,3,2-dioxaphospholane.

Molecular Properties

Compound Name2-bromo-1,3,2-dioxaphospholane
PubChem CID14272991
Molecular FormulaC2H4BrO2P
Molecular Weight170.93 g/mol
Exact Mass169.91
IUPAC Name2-bromo-1,3,2-dioxaphospholane
SMILESBrP1OCCO1
InChIInChI=1S/C2H4BrO2P/c3-6-4-1-2-5-6/h1-2H2
InChIKeyAXEYVSZQBDLFJE-UHFFFAOYSA-N
XLogP1.65
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.93
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromo-1,3,2-dioxaphospholane?
The IUPAC name of 2-bromo-1,3,2-dioxaphospholane (CID 14272991) is 2-bromo-1,3,2-dioxaphospholane.
What is the SMILES notation for 2-bromo-1,3,2-dioxaphospholane?
The canonical SMILES for 2-bromo-1,3,2-dioxaphospholane is BrP1OCCO1.
What is the InChIKey of 2-bromo-1,3,2-dioxaphospholane?
The InChIKey is AXEYVSZQBDLFJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4BrO2P/c3-6-4-1-2-5-6/h1-2H2.
What are the key properties of 2-bromo-1,3,2-dioxaphospholane?
2-bromo-1,3,2-dioxaphospholane has a molecular weight of 170.93 g/mol, XLogP of 1.65, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1,3,2-dioxaphospholane is sourced from PubChem (CID 14272991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).