1,2-dibromoethane;ethene;molecular bromine

C4H8Br4 — CID 160979886

IUPAC1,2-dibromoethane;ethene;molecular bromine
SMILESBrBr.BrCCBr.C=C
InChIInChI=1S/C2H4Br2.C2H4.Br2/c3-1-2-4;2*1-2/h1-2H2;1-2H2;
InChIKeySZJICCNLHOKNBW-UHFFFAOYSA-N
MW375.72 g/mol
LogP4.27
Rot. Bonds1

About 1,2-dibromoethane;ethene;molecular bromine

1,2-dibromoethane;ethene;molecular bromine (PubChem CID 160979886) has the molecular formula C4H8Br4 and a molecular weight of 375.72 g/mol. Its IUPAC name is 1,2-dibromoethane;ethene;molecular bromine.

Molecular Properties

Compound Name1,2-dibromoethane;ethene;molecular bromine
PubChem CID160979886
Molecular FormulaC4H8Br4
Molecular Weight375.72 g/mol
Exact Mass371.74
IUPAC Name1,2-dibromoethane;ethene;molecular bromine
SMILESBrBr.BrCCBr.C=C
InChIInChI=1S/C2H4Br2.C2H4.Br2/c3-1-2-4;2*1-2/h1-2H2;1-2H2;
InChIKeySZJICCNLHOKNBW-UHFFFAOYSA-N
XLogP4.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.72
LogP ≤ 54.27
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 1,2-dibromoethane;ethene;molecular bromine 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 1,2-dibromoethane;ethene;molecular bromine?
The IUPAC name of 1,2-dibromoethane;ethene;molecular bromine (CID 160979886) is 1,2-dibromoethane;ethene;molecular bromine.
What is the SMILES notation for 1,2-dibromoethane;ethene;molecular bromine?
The canonical SMILES for 1,2-dibromoethane;ethene;molecular bromine is BrBr.BrCCBr.C=C.
What is the InChIKey of 1,2-dibromoethane;ethene;molecular bromine?
The InChIKey is SZJICCNLHOKNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2.C2H4.Br2/c3-1-2-4;2*1-2/h1-2H2;1-2H2;.
What are the key properties of 1,2-dibromoethane;ethene;molecular bromine?
1,2-dibromoethane;ethene;molecular bromine has a molecular weight of 375.72 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromoethane;ethene;molecular bromine is sourced from PubChem (CID 160979886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).