1,1-dibromoethane

C2H4Br2 — CID 11201

IUPAC1,1-dibromoethane
SMILESCC(Br)Br
InChIInChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3
InChIKeyAPQIUTYORBAGEZ-UHFFFAOYSA-N
MW187.86 g/mol
LogP2.12
Rot. Bonds

About 1,1-dibromoethane

1,1-dibromoethane (PubChem CID 11201) has the molecular formula C2H4Br2 and a molecular weight of 187.86 g/mol. Its IUPAC name is 1,1-dibromoethane.

Molecular Properties

Compound Name1,1-dibromoethane
PubChem CID11201
Molecular FormulaC2H4Br2
Molecular Weight187.86 g/mol
Exact Mass185.87
IUPAC Name1,1-dibromoethane
SMILESCC(Br)Br
InChIInChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3
InChIKeyAPQIUTYORBAGEZ-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.86
LogP ≤ 52.12
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 1,1-dibromoethane?
The IUPAC name of 1,1-dibromoethane (CID 11201) is 1,1-dibromoethane.
What is the SMILES notation for 1,1-dibromoethane?
The canonical SMILES for 1,1-dibromoethane is CC(Br)Br.
What is the InChIKey of 1,1-dibromoethane?
The InChIKey is APQIUTYORBAGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4Br2/c1-2(3)4/h2H,1H3.
What are the key properties of 1,1-dibromoethane?
1,1-dibromoethane has a molecular weight of 187.86 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromoethane is sourced from PubChem (CID 11201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).