1,2-dibromoethane;ethane

C4H10Br2 — CID 91114751

IUPAC1,2-dibromoethane;ethane
SMILESBrCCBr.CC
InChIInChI=1S/C2H4Br2.C2H6/c3-1-2-4;1-2/h1-2H2;1-2H3
InChIKeyLGWLWJRCCLWLSK-UHFFFAOYSA-N
MW217.93 g/mol
LogP2.80
Rot. Bonds1

About 1,2-dibromoethane;ethane

1,2-dibromoethane;ethane (PubChem CID 91114751) has the molecular formula C4H10Br2 and a molecular weight of 217.93 g/mol. Its IUPAC name is 1,2-dibromoethane;ethane.

Molecular Properties

Compound Name1,2-dibromoethane;ethane
PubChem CID91114751
Molecular FormulaC4H10Br2
Molecular Weight217.93 g/mol
Exact Mass215.91
IUPAC Name1,2-dibromoethane;ethane
SMILESBrCCBr.CC
InChIInChI=1S/C2H4Br2.C2H6/c3-1-2-4;1-2/h1-2H2;1-2H3
InChIKeyLGWLWJRCCLWLSK-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.93
LogP ≤ 52.80
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;ethane?
The IUPAC name of 1,2-dibromoethane;ethane (CID 91114751) is 1,2-dibromoethane;ethane.
What is the SMILES notation for 1,2-dibromoethane;ethane?
The canonical SMILES for 1,2-dibromoethane;ethane is BrCCBr.CC.
What is the InChIKey of 1,2-dibromoethane;ethane?
The InChIKey is LGWLWJRCCLWLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2.C2H6/c3-1-2-4;1-2/h1-2H2;1-2H3.
What are the key properties of 1,2-dibromoethane;ethane?
1,2-dibromoethane;ethane has a molecular weight of 217.93 g/mol, XLogP of 2.80, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromoethane;ethane is sourced from PubChem (CID 91114751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).