1,1-dibromo-1,2-diiodoethane

C2H2Br2I2 — CID 87996140

IUPAC1,1-dibromo-1,2-diiodoethane
SMILESBrC(Br)(I)CI
InChIInChI=1S/C2H2Br2I2/c3-2(4,6)1-5/h1H2
InChIKeyCGKGCZGICQDVJO-UHFFFAOYSA-N
MW439.65 g/mol
LogP3.30
Rot. Bonds1

About 1,1-dibromo-1,2-diiodoethane

1,1-dibromo-1,2-diiodoethane (PubChem CID 87996140) has the molecular formula C2H2Br2I2 and a molecular weight of 439.65 g/mol. Its IUPAC name is 1,1-dibromo-1,2-diiodoethane.

Molecular Properties

Compound Name1,1-dibromo-1,2-diiodoethane
PubChem CID87996140
Molecular FormulaC2H2Br2I2
Molecular Weight439.65 g/mol
Exact Mass437.66
IUPAC Name1,1-dibromo-1,2-diiodoethane
SMILESBrC(Br)(I)CI
InChIInChI=1S/C2H2Br2I2/c3-2(4,6)1-5/h1H2
InChIKeyCGKGCZGICQDVJO-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.65
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-1,2-diiodoethane?
The IUPAC name of 1,1-dibromo-1,2-diiodoethane (CID 87996140) is 1,1-dibromo-1,2-diiodoethane.
What is the SMILES notation for 1,1-dibromo-1,2-diiodoethane?
The canonical SMILES for 1,1-dibromo-1,2-diiodoethane is BrC(Br)(I)CI.
What is the InChIKey of 1,1-dibromo-1,2-diiodoethane?
The InChIKey is CGKGCZGICQDVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Br2I2/c3-2(4,6)1-5/h1H2.
What are the key properties of 1,1-dibromo-1,2-diiodoethane?
1,1-dibromo-1,2-diiodoethane has a molecular weight of 439.65 g/mol, XLogP of 3.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-1,2-diiodoethane is sourced from PubChem (CID 87996140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).