3,4-dibromocyclobutene

C4H4Br2 — CID 542850

IUPAC3,4-dibromocyclobutene
SMILESBrC1C=CC1Br
InChIInChI=1S/C4H4Br2/c5-3-1-2-4(3)6/h1-4H
InChIKeyLOUHHAXEVCJWFQ-UHFFFAOYSA-N
MW211.88 g/mol
LogP2.08
Rot. Bonds

About 3,4-dibromocyclobutene

3,4-dibromocyclobutene (PubChem CID 542850) has the molecular formula C4H4Br2 and a molecular weight of 211.88 g/mol. Its IUPAC name is 3,4-dibromocyclobutene.

Molecular Properties

Compound Name3,4-dibromocyclobutene
PubChem CID542850
Molecular FormulaC4H4Br2
Molecular Weight211.88 g/mol
Exact Mass209.87
IUPAC Name3,4-dibromocyclobutene
SMILESBrC1C=CC1Br
InChIInChI=1S/C4H4Br2/c5-3-1-2-4(3)6/h1-4H
InChIKeyLOUHHAXEVCJWFQ-UHFFFAOYSA-N
XLogP2.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.88
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3,4-dibromocyclobutene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-dibromocyclobutene?
The IUPAC name of 3,4-dibromocyclobutene (CID 542850) is 3,4-dibromocyclobutene.
What is the SMILES notation for 3,4-dibromocyclobutene?
The canonical SMILES for 3,4-dibromocyclobutene is BrC1C=CC1Br.
What is the InChIKey of 3,4-dibromocyclobutene?
The InChIKey is LOUHHAXEVCJWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4Br2/c5-3-1-2-4(3)6/h1-4H.
What are the key properties of 3,4-dibromocyclobutene?
3,4-dibromocyclobutene has a molecular weight of 211.88 g/mol, XLogP of 2.08, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dibromocyclobutene is sourced from PubChem (CID 542850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).