1,2-diiodobenzene

C6H4I2 — CID 11994

IUPAC1,2-diiodobenzene
SMILESIc1ccccc1I
InChIInChI=1S/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyBBOLNFYSRZVALD-UHFFFAOYSA-N
MW329.91 g/mol
LogP2.90
Rot. Bonds

About 1,2-diiodobenzene

1,2-diiodobenzene (PubChem CID 11994) has the molecular formula C6H4I2 and a molecular weight of 329.91 g/mol. Its IUPAC name is 1,2-diiodobenzene.

Molecular Properties

Compound Name1,2-diiodobenzene
PubChem CID11994
Molecular FormulaC6H4I2
Molecular Weight329.91 g/mol
Exact Mass329.84
IUPAC Name1,2-diiodobenzene
SMILESIc1ccccc1I
InChIInChI=1S/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4H
InChIKeyBBOLNFYSRZVALD-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.91
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-diiodobenzene?
The IUPAC name of 1,2-diiodobenzene (CID 11994) is 1,2-diiodobenzene.
What is the SMILES notation for 1,2-diiodobenzene?
The canonical SMILES for 1,2-diiodobenzene is Ic1ccccc1I.
What is the InChIKey of 1,2-diiodobenzene?
The InChIKey is BBOLNFYSRZVALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4I2/c7-5-3-1-2-4-6(5)8/h1-4H.
What are the key properties of 1,2-diiodobenzene?
1,2-diiodobenzene has a molecular weight of 329.91 g/mol, XLogP of 2.90, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diiodobenzene is sourced from PubChem (CID 11994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).