nickel;1,1,1,2-tetrabromoethane

C2H2Br4Ni — CID 88654037

IUPACnickel;1,1,1,2-tetrabromoethane
SMILESBrCC(Br)(Br)Br.[Ni]
InChIInChI=1S/C2H2Br4.Ni/c3-1-2(4,5)6;/h1H2;
InChIKeyWUQUNZNWEPCPIW-UHFFFAOYSA-N
MW404.35 g/mol
LogP3.22
Rot. Bonds

About nickel;1,1,1,2-tetrabromoethane

nickel;1,1,1,2-tetrabromoethane (PubChem CID 88654037) has the molecular formula C2H2Br4Ni and a molecular weight of 404.35 g/mol. Its IUPAC name is nickel;1,1,1,2-tetrabromoethane.

Molecular Properties

Compound Namenickel;1,1,1,2-tetrabromoethane
PubChem CID88654037
Molecular FormulaC2H2Br4Ni
Molecular Weight404.35 g/mol
Exact Mass399.62
IUPAC Namenickel;1,1,1,2-tetrabromoethane
SMILESBrCC(Br)(Br)Br.[Ni]
InChIInChI=1S/C2H2Br4.Ni/c3-1-2(4,5)6;/h1H2;
InChIKeyWUQUNZNWEPCPIW-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze nickel;1,1,1,2-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 nickel;1,1,1,2-tetrabromoethane?
The IUPAC name of nickel;1,1,1,2-tetrabromoethane (CID 88654037) is nickel;1,1,1,2-tetrabromoethane.
What is the SMILES notation for nickel;1,1,1,2-tetrabromoethane?
The canonical SMILES for nickel;1,1,1,2-tetrabromoethane is BrCC(Br)(Br)Br.[Ni].
What is the InChIKey of nickel;1,1,1,2-tetrabromoethane?
The InChIKey is WUQUNZNWEPCPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Br4.Ni/c3-1-2(4,5)6;/h1H2;.
What are the key properties of nickel;1,1,1,2-tetrabromoethane?
nickel;1,1,1,2-tetrabromoethane has a molecular weight of 404.35 g/mol, XLogP of 3.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nickel;1,1,1,2-tetrabromoethane is sourced from PubChem (CID 88654037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).