1,2,3,4-tetraiodobenzene

C6H2I4 — CID 12465

IUPAC1,2,3,4-tetraiodobenzene
SMILESIc1ccc(I)c(I)c1I
InChIInChI=1S/C6H2I4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeyBHASHBRUGOYKMC-UHFFFAOYSA-N
MW581.70 g/mol
LogP4.11
Rot. Bonds

About 1,2,3,4-tetraiodobenzene

1,2,3,4-tetraiodobenzene (PubChem CID 12465) has the molecular formula C6H2I4 and a molecular weight of 581.70 g/mol. Its IUPAC name is 1,2,3,4-tetraiodobenzene.

Molecular Properties

Compound Name1,2,3,4-tetraiodobenzene
PubChem CID12465
Molecular FormulaC6H2I4
Molecular Weight581.70 g/mol
Exact Mass581.63
IUPAC Name1,2,3,4-tetraiodobenzene
SMILESIc1ccc(I)c(I)c1I
InChIInChI=1S/C6H2I4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H
InChIKeyBHASHBRUGOYKMC-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.70
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetraiodobenzene?
The IUPAC name of 1,2,3,4-tetraiodobenzene (CID 12465) is 1,2,3,4-tetraiodobenzene.
What is the SMILES notation for 1,2,3,4-tetraiodobenzene?
The canonical SMILES for 1,2,3,4-tetraiodobenzene is Ic1ccc(I)c(I)c1I.
What is the InChIKey of 1,2,3,4-tetraiodobenzene?
The InChIKey is BHASHBRUGOYKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2I4/c7-3-1-2-4(8)6(10)5(3)9/h1-2H.
What are the key properties of 1,2,3,4-tetraiodobenzene?
1,2,3,4-tetraiodobenzene has a molecular weight of 581.70 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetraiodobenzene is sourced from PubChem (CID 12465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).