1,2-dibromoethane

C2H4Br2 — CID 7839

IUPAC1,2-dibromoethane
SMILESBrCCBr
InChIInChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
InChIKeyPAAZPARNPHGIKF-UHFFFAOYSA-N
MW187.86 g/mol
LogP1.78
Rot. Bonds1

About 1,2-dibromoethane

1,2-dibromoethane (PubChem CID 7839) has the molecular formula C2H4Br2 and a molecular weight of 187.86 g/mol. Its IUPAC name is 1,2-dibromoethane.

Molecular Properties

Compound Name1,2-dibromoethane
PubChem CID7839
Molecular FormulaC2H4Br2
Molecular Weight187.86 g/mol
Exact Mass185.87
IUPAC Name1,2-dibromoethane
SMILESBrCCBr
InChIInChI=1S/C2H4Br2/c3-1-2-4/h1-2H2
InChIKeyPAAZPARNPHGIKF-UHFFFAOYSA-N
XLogP1.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.86
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-dibromoethane;oxirane
CID 157270285
1,2-dibromoethane;1,2-dichloroethane;tetrachloromethane
CID 3041329
1,40-dibromotetracontane
CID 11614635
1,2-dibromo-1-deuterioethane
CID 54482118
3-bromo-1,1,1,2,2-pentadeuteriopropane
CID 87158704
1,2-dibromoethane;1,1-dichloroethane;1,2-dichloroethane
CID 161263882
2-bromoethanamine;hydrobromide
CID 2774217
1-bromopropane;hydrobromide
CID 141072215
2-bromoethanamine;hypobromous acid
CID 159414282
1,5-dibromopentane;molecular nitrogen
CID 164869645
bromomethanol
CID 11708052
CID 173209641
CID 173209641

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromoethane?
The IUPAC name of 1,2-dibromoethane (CID 7839) is 1,2-dibromoethane.
What is the SMILES notation for 1,2-dibromoethane?
The canonical SMILES for 1,2-dibromoethane is BrCCBr.
What is the InChIKey of 1,2-dibromoethane?
The InChIKey is PAAZPARNPHGIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2.
What are the key properties of 1,2-dibromoethane?
1,2-dibromoethane has a molecular weight of 187.86 g/mol, XLogP of 1.78, 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 7839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).