1,2-dibromoethane

C2H3Br2+ — CID 86090178

IUPAC1,2-dibromoethane
SMILESBr[CH+]CBr
InChIInChI=1S/C2H3Br2/c3-1-2-4/h1H,2H2/q+1
InChIKeyUIUILRAVCHQUHT-UHFFFAOYSA-N
MW186.85 g/mol
LogP1.94
Rot. Bonds1

About 1,2-dibromoethane

1,2-dibromoethane (PubChem CID 86090178) has the molecular formula C2H3Br2+ and a molecular weight of 186.85 g/mol. Its IUPAC name is 1,2-dibromoethane.

Molecular Properties

Compound Name1,2-dibromoethane
PubChem CID86090178
Molecular FormulaC2H3Br2+
Molecular Weight186.85 g/mol
Exact Mass184.86
IUPAC Name1,2-dibromoethane
SMILESBr[CH+]CBr
InChIInChI=1S/C2H3Br2/c3-1-2-4/h1H,2H2/q+1
InChIKeyUIUILRAVCHQUHT-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.85
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dibromoethane?
The IUPAC name of 1,2-dibromoethane (CID 86090178) is 1,2-dibromoethane.
What is the SMILES notation for 1,2-dibromoethane?
The canonical SMILES for 1,2-dibromoethane is Br[CH+]CBr.
What is the InChIKey of 1,2-dibromoethane?
The InChIKey is UIUILRAVCHQUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3Br2/c3-1-2-4/h1H,2H2/q+1.
What are the key properties of 1,2-dibromoethane?
1,2-dibromoethane has a molecular weight of 186.85 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromoethane is sourced from PubChem (CID 86090178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).