1,2-dibromoethane;dibromomethane

C3H6Br4 — CID 159070520

IUPAC1,2-dibromoethane;dibromomethane
SMILESBrCBr.BrCCBr
InChIInChI=1S/C2H4Br2.CH2Br2/c3-1-2-4;2-1-3/h1-2H2;1H2
InChIKeyJZOZPFYCJMLKJE-UHFFFAOYSA-N
MW361.70 g/mol
LogP3.51
Rot. Bonds1

About 1,2-dibromoethane;dibromomethane

1,2-dibromoethane;dibromomethane (PubChem CID 159070520) has the molecular formula C3H6Br4 and a molecular weight of 361.70 g/mol. Its IUPAC name is 1,2-dibromoethane;dibromomethane.

Molecular Properties

Compound Name1,2-dibromoethane;dibromomethane
PubChem CID159070520
Molecular FormulaC3H6Br4
Molecular Weight361.70 g/mol
Exact Mass357.72
IUPAC Name1,2-dibromoethane;dibromomethane
SMILESBrCBr.BrCCBr
InChIInChI=1S/C2H4Br2.CH2Br2/c3-1-2-4;2-1-3/h1-2H2;1H2
InChIKeyJZOZPFYCJMLKJE-UHFFFAOYSA-N
XLogP3.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.70
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromoethane;dibromomethane?
The IUPAC name of 1,2-dibromoethane;dibromomethane (CID 159070520) is 1,2-dibromoethane;dibromomethane.
What is the SMILES notation for 1,2-dibromoethane;dibromomethane?
The canonical SMILES for 1,2-dibromoethane;dibromomethane is BrCBr.BrCCBr.
What is the InChIKey of 1,2-dibromoethane;dibromomethane?
The InChIKey is JZOZPFYCJMLKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2.CH2Br2/c3-1-2-4;2-1-3/h1-2H2;1H2.
What are the key properties of 1,2-dibromoethane;dibromomethane?
1,2-dibromoethane;dibromomethane has a molecular weight of 361.70 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromoethane;dibromomethane is sourced from PubChem (CID 159070520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).