1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene

C8H8Br2 — CID 59070810

IUPAC1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene
SMILES[2H]c1c([2H])c(C([2H])([2H])Br)c([2H])c([2H])c1C([2H])([2H])Br
InChIInChI=1S/C8H8Br2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2/i1D,2D,3D,4D,5D2,6D2
InChIKeyRBZMSGOBSOCYHR-MOBLDEHESA-N
MW272.01 g/mol
LogP3.48
Rot. Bonds2

About 1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene

1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene (PubChem CID 59070810) has the molecular formula C8H8Br2 and a molecular weight of 272.01 g/mol. Its IUPAC name is 1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene.

Molecular Properties

Compound Name1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene
PubChem CID59070810
Molecular FormulaC8H8Br2
Molecular Weight272.01 g/mol
Exact Mass269.95
IUPAC Name1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene
SMILES[2H]c1c([2H])c(C([2H])([2H])Br)c([2H])c([2H])c1C([2H])([2H])Br
InChIInChI=1S/C8H8Br2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2/i1D,2D,3D,4D,5D2,6D2
InChIKeyRBZMSGOBSOCYHR-MOBLDEHESA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.01
LogP ≤ 53.48
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 1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene?
The IUPAC name of 1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene (CID 59070810) is 1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene.
What is the SMILES notation for 1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene?
The canonical SMILES for 1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene is [2H]c1c([2H])c(C([2H])([2H])Br)c([2H])c([2H])c1C([2H])([2H])Br.
What is the InChIKey of 1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene?
The InChIKey is RBZMSGOBSOCYHR-MOBLDEHESA-N. The full InChI is InChI=1S/C8H8Br2/c9-5-7-1-2-8(6-10)4-3-7/h1-4H,5-6H2/i1D,2D,3D,4D,5D2,6D2.
What are the key properties of 1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene?
1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene has a molecular weight of 272.01 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[bromo(dideuterio)methyl]-2,3,5,6-tetradeuteriobenzene is sourced from PubChem (CID 59070810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).