1,2-dibromoethane;oxirane

C4H8Br2O — CID 157270285

IUPAC1,2-dibromoethane;oxirane
SMILESBrCCBr.C1CO1
InChIInChI=1S/C2H4Br2.C2H4O/c3-1-2-4;1-2-3-1/h1-2H2;1-2H2
InChIKeyAYLLLOVFRWGHRQ-UHFFFAOYSA-N
MW231.91 g/mol
LogP1.79
Rot. Bonds1

About 1,2-dibromoethane;oxirane

1,2-dibromoethane;oxirane (PubChem CID 157270285) has the molecular formula C4H8Br2O and a molecular weight of 231.91 g/mol. Its IUPAC name is 1,2-dibromoethane;oxirane.

Molecular Properties

Compound Name1,2-dibromoethane;oxirane
PubChem CID157270285
Molecular FormulaC4H8Br2O
Molecular Weight231.91 g/mol
Exact Mass229.89
IUPAC Name1,2-dibromoethane;oxirane
SMILESBrCCBr.C1CO1
InChIInChI=1S/C2H4Br2.C2H4O/c3-1-2-4;1-2-3-1/h1-2H2;1-2H2
InChIKeyAYLLLOVFRWGHRQ-UHFFFAOYSA-N
XLogP1.79
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.91
LogP ≤ 51.79
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 1,2-dibromoethane;oxirane?
The IUPAC name of 1,2-dibromoethane;oxirane (CID 157270285) is 1,2-dibromoethane;oxirane.
What is the SMILES notation for 1,2-dibromoethane;oxirane?
The canonical SMILES for 1,2-dibromoethane;oxirane is BrCCBr.C1CO1.
What is the InChIKey of 1,2-dibromoethane;oxirane?
The InChIKey is AYLLLOVFRWGHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2.C2H4O/c3-1-2-4;1-2-3-1/h1-2H2;1-2H2.
What are the key properties of 1,2-dibromoethane;oxirane?
1,2-dibromoethane;oxirane has a molecular weight of 231.91 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromoethane;oxirane is sourced from PubChem (CID 157270285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).