2-bromo-2-(bromomethyl)oxirane

C3H4Br2O — CID 142696994

IUPAC2-bromo-2-(bromomethyl)oxirane
SMILESBrCC1(Br)CO1
InChIInChI=1S/C3H4Br2O/c4-1-3(5)2-6-3/h1-2H2
InChIKeyUQKQIGITHCPKHV-UHFFFAOYSA-N
MW215.87 g/mol
LogP1.50
Rot. Bonds1

About 2-bromo-2-(bromomethyl)oxirane

2-bromo-2-(bromomethyl)oxirane (PubChem CID 142696994) has the molecular formula C3H4Br2O and a molecular weight of 215.87 g/mol. Its IUPAC name is 2-bromo-2-(bromomethyl)oxirane.

Molecular Properties

Compound Name2-bromo-2-(bromomethyl)oxirane
PubChem CID142696994
Molecular FormulaC3H4Br2O
Molecular Weight215.87 g/mol
Exact Mass213.86
IUPAC Name2-bromo-2-(bromomethyl)oxirane
SMILESBrCC1(Br)CO1
InChIInChI=1S/C3H4Br2O/c4-1-3(5)2-6-3/h1-2H2
InChIKeyUQKQIGITHCPKHV-UHFFFAOYSA-N
XLogP1.50
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.87
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(bromomethyl)oxirane?
The IUPAC name of 2-bromo-2-(bromomethyl)oxirane (CID 142696994) is 2-bromo-2-(bromomethyl)oxirane.
What is the SMILES notation for 2-bromo-2-(bromomethyl)oxirane?
The canonical SMILES for 2-bromo-2-(bromomethyl)oxirane is BrCC1(Br)CO1.
What is the InChIKey of 2-bromo-2-(bromomethyl)oxirane?
The InChIKey is UQKQIGITHCPKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4Br2O/c4-1-3(5)2-6-3/h1-2H2.
What are the key properties of 2-bromo-2-(bromomethyl)oxirane?
2-bromo-2-(bromomethyl)oxirane has a molecular weight of 215.87 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-(bromomethyl)oxirane is sourced from PubChem (CID 142696994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).