2-(dibromomethyl)oxetane

C4H6Br2O — CID 19905814

IUPAC2-(dibromomethyl)oxetane
SMILESBrC(Br)C1CCO1
InChIInChI=1S/C4H6Br2O/c5-4(6)3-1-2-7-3/h3-4H,1-2H2
InChIKeyZLPGBYKIQWHJSZ-UHFFFAOYSA-N
MW229.90 g/mol
LogP1.89
Rot. Bonds1

About 2-(dibromomethyl)oxetane

2-(dibromomethyl)oxetane (PubChem CID 19905814) has the molecular formula C4H6Br2O and a molecular weight of 229.90 g/mol. Its IUPAC name is 2-(dibromomethyl)oxetane.

Molecular Properties

Compound Name2-(dibromomethyl)oxetane
PubChem CID19905814
Molecular FormulaC4H6Br2O
Molecular Weight229.90 g/mol
Exact Mass227.88
IUPAC Name2-(dibromomethyl)oxetane
SMILESBrC(Br)C1CCO1
InChIInChI=1S/C4H6Br2O/c5-4(6)3-1-2-7-3/h3-4H,1-2H2
InChIKeyZLPGBYKIQWHJSZ-UHFFFAOYSA-N
XLogP1.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.90
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(dibromomethyl)oxetane?
The IUPAC name of 2-(dibromomethyl)oxetane (CID 19905814) is 2-(dibromomethyl)oxetane.
What is the SMILES notation for 2-(dibromomethyl)oxetane?
The canonical SMILES for 2-(dibromomethyl)oxetane is BrC(Br)C1CCO1.
What is the InChIKey of 2-(dibromomethyl)oxetane?
The InChIKey is ZLPGBYKIQWHJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Br2O/c5-4(6)3-1-2-7-3/h3-4H,1-2H2.
What are the key properties of 2-(dibromomethyl)oxetane?
2-(dibromomethyl)oxetane has a molecular weight of 229.90 g/mol, XLogP of 1.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibromomethyl)oxetane is sourced from PubChem (CID 19905814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).