1,1,2,2-tetrabromoethane

C2H2Br4 — CID 6588

IUPAC1,1,2,2-tetrabromoethane
SMILESBrC(Br)C(Br)Br
InChIInChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2H
InChIKeyQXSZNDIIPUOQMB-UHFFFAOYSA-N
MW345.65 g/mol
LogP3.22
Rot. Bonds1

About 1,1,2,2-tetrabromoethane

1,1,2,2-tetrabromoethane (PubChem CID 6588) has the molecular formula C2H2Br4 and a molecular weight of 345.65 g/mol. Its IUPAC name is 1,1,2,2-tetrabromoethane.

Molecular Properties

Compound Name1,1,2,2-tetrabromoethane
PubChem CID6588
Molecular FormulaC2H2Br4
Molecular Weight345.65 g/mol
Exact Mass341.69
IUPAC Name1,1,2,2-tetrabromoethane
SMILESBrC(Br)C(Br)Br
InChIInChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2H
InChIKeyQXSZNDIIPUOQMB-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1,1,2,2-tetrabromoethane 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 1,1,2,2-tetrabromoethane?
The IUPAC name of 1,1,2,2-tetrabromoethane (CID 6588) is 1,1,2,2-tetrabromoethane.
What is the SMILES notation for 1,1,2,2-tetrabromoethane?
The canonical SMILES for 1,1,2,2-tetrabromoethane is BrC(Br)C(Br)Br.
What is the InChIKey of 1,1,2,2-tetrabromoethane?
The InChIKey is QXSZNDIIPUOQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Br4/c3-1(4)2(5)6/h1-2H.
What are the key properties of 1,1,2,2-tetrabromoethane?
1,1,2,2-tetrabromoethane has a molecular weight of 345.65 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrabromoethane is sourced from PubChem (CID 6588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).