1,2-dibromoethane;dihydrobromide

C2H6Br4 — CID 172693529

IUPAC1,2-dibromoethane;dihydrobromide
SMILESBr.Br.BrCCBr
InChIInChI=1S/C2H4Br2.2BrH/c3-1-2-4;;/h1-2H2;2*1H
InChIKeyBZVFVAHQHQUHEK-UHFFFAOYSA-N
MW349.69 g/mol
LogP2.93
Rot. Bonds1

About 1,2-dibromoethane;dihydrobromide

1,2-dibromoethane;dihydrobromide (PubChem CID 172693529) has the molecular formula C2H6Br4 and a molecular weight of 349.69 g/mol. Its IUPAC name is 1,2-dibromoethane;dihydrobromide.

Molecular Properties

Compound Name1,2-dibromoethane;dihydrobromide
PubChem CID172693529
Molecular FormulaC2H6Br4
Molecular Weight349.69 g/mol
Exact Mass345.72
IUPAC Name1,2-dibromoethane;dihydrobromide
SMILESBr.Br.BrCCBr
InChIInChI=1S/C2H4Br2.2BrH/c3-1-2-4;;/h1-2H2;2*1H
InChIKeyBZVFVAHQHQUHEK-UHFFFAOYSA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.69
LogP ≤ 52.93
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;dihydrobromide?
The IUPAC name of 1,2-dibromoethane;dihydrobromide (CID 172693529) is 1,2-dibromoethane;dihydrobromide.
What is the SMILES notation for 1,2-dibromoethane;dihydrobromide?
The canonical SMILES for 1,2-dibromoethane;dihydrobromide is Br.Br.BrCCBr.
What is the InChIKey of 1,2-dibromoethane;dihydrobromide?
The InChIKey is BZVFVAHQHQUHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2.2BrH/c3-1-2-4;;/h1-2H2;2*1H.
What are the key properties of 1,2-dibromoethane;dihydrobromide?
1,2-dibromoethane;dihydrobromide has a molecular weight of 349.69 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dibromoethane;dihydrobromide is sourced from PubChem (CID 172693529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).