1,2-dibromo-1-deuterioethane

C2H4Br2 — CID 54482118

IUPAC1,2-dibromo-1-deuterioethane
SMILES[2H]C(Br)CBr
InChIInChI=1S/C2H4Br2/c3-1-2-4/h1-2H2/i1D
InChIKeyPAAZPARNPHGIKF-MICDWDOJSA-N
MW188.87 g/mol
LogP1.78
Rot. Bonds1

About 1,2-dibromo-1-deuterioethane

1,2-dibromo-1-deuterioethane (PubChem CID 54482118) has the molecular formula C2H4Br2 and a molecular weight of 188.87 g/mol. Its IUPAC name is 1,2-dibromo-1-deuterioethane.

Molecular Properties

Compound Name1,2-dibromo-1-deuterioethane
PubChem CID54482118
Molecular FormulaC2H4Br2
Molecular Weight188.87 g/mol
Exact Mass186.87
IUPAC Name1,2-dibromo-1-deuterioethane
SMILES[2H]C(Br)CBr
InChIInChI=1S/C2H4Br2/c3-1-2-4/h1-2H2/i1D
InChIKeyPAAZPARNPHGIKF-MICDWDOJSA-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 ≤ 500188.87
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
CID 7839
1,3-dibromo-1,1,3,3-tetradeuteriopropane
CID 54387418
3-bromo-1,1,1,2,2-pentadeuteriopropane
CID 87158704
1-bromo-1,1,2,2-tetradeuteriopropane
CID 71309549
1,5-dibromo-1,1,2,2,3,3,4,4,5,5-decadeuteriopentane
CID 131869331
1-bromo-1-deuterioheptane
CID 122236806
2-bromo-1,1,2,2-tetradeuterioethanamine;hydrobromide
CID 76974623
1-bromo-1,1,2,3,3,3-hexadeuteriopropane
CID 23264209
1,40-dibromotetracontane
CID 11614635
1-bromo-7,7-dideuterioundecane
CID 11075452
1-bromo-1,1-dideuteriopropan-2-one
CID 161368920
7-bromo-3,3,4,4-tetradeuteriohept-1-ene
CID 58282773

Frequently Asked Questions

What is the IUPAC name of 1,2-dibromo-1-deuterioethane?
The IUPAC name of 1,2-dibromo-1-deuterioethane (CID 54482118) is 1,2-dibromo-1-deuterioethane.
What is the SMILES notation for 1,2-dibromo-1-deuterioethane?
The canonical SMILES for 1,2-dibromo-1-deuterioethane is [2H]C(Br)CBr.
What is the InChIKey of 1,2-dibromo-1-deuterioethane?
The InChIKey is PAAZPARNPHGIKF-MICDWDOJSA-N. The full InChI is InChI=1S/C2H4Br2/c3-1-2-4/h1-2H2/i1D.
What are the key properties of 1,2-dibromo-1-deuterioethane?
1,2-dibromo-1-deuterioethane has a molecular weight of 188.87 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-dibromo-1-deuterioethane is sourced from PubChem (CID 54482118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).