1,1-dibromo-3,3-diiodobutane

C4H6Br2I2 — CID 173458704

IUPAC1,1-dibromo-3,3-diiodobutane
SMILESCC(I)(I)CC(Br)Br
InChIInChI=1S/C4H6Br2I2/c1-4(7,8)2-3(5)6/h3H,2H2,1H3
InChIKeyJKEOHNJIDITMCN-UHFFFAOYSA-N
MW467.71 g/mol
LogP4.08
Rot. Bonds2

About 1,1-dibromo-3,3-diiodobutane

1,1-dibromo-3,3-diiodobutane (PubChem CID 173458704) has the molecular formula C4H6Br2I2 and a molecular weight of 467.71 g/mol. Its IUPAC name is 1,1-dibromo-3,3-diiodobutane.

Molecular Properties

Compound Name1,1-dibromo-3,3-diiodobutane
PubChem CID173458704
Molecular FormulaC4H6Br2I2
Molecular Weight467.71 g/mol
Exact Mass465.69
IUPAC Name1,1-dibromo-3,3-diiodobutane
SMILESCC(I)(I)CC(Br)Br
InChIInChI=1S/C4H6Br2I2/c1-4(7,8)2-3(5)6/h3H,2H2,1H3
InChIKeyJKEOHNJIDITMCN-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.71
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibromo-3,3-diiodobutane?
The IUPAC name of 1,1-dibromo-3,3-diiodobutane (CID 173458704) is 1,1-dibromo-3,3-diiodobutane.
What is the SMILES notation for 1,1-dibromo-3,3-diiodobutane?
The canonical SMILES for 1,1-dibromo-3,3-diiodobutane is CC(I)(I)CC(Br)Br.
What is the InChIKey of 1,1-dibromo-3,3-diiodobutane?
The InChIKey is JKEOHNJIDITMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6Br2I2/c1-4(7,8)2-3(5)6/h3H,2H2,1H3.
What are the key properties of 1,1-dibromo-3,3-diiodobutane?
1,1-dibromo-3,3-diiodobutane has a molecular weight of 467.71 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibromo-3,3-diiodobutane is sourced from PubChem (CID 173458704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).