2-(1-chloroethenyl)-1,3,5-triiodobenzene

C8H4ClI3 — CID 166018920

IUPAC2-(1-chloroethenyl)-1,3,5-triiodobenzene
SMILESC=C(Cl)c1c(I)cc(I)cc1I
InChIInChI=1S/C8H4ClI3/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3H,1H2
InChIKeyZUBGCEYBVWHWIX-UHFFFAOYSA-N
MW516.29 g/mol
LogP4.71
Rot. Bonds1

About 2-(1-chloroethenyl)-1,3,5-triiodobenzene

2-(1-chloroethenyl)-1,3,5-triiodobenzene (PubChem CID 166018920) has the molecular formula C8H4ClI3 and a molecular weight of 516.29 g/mol. Its IUPAC name is 2-(1-chloroethenyl)-1,3,5-triiodobenzene.

Molecular Properties

Compound Name2-(1-chloroethenyl)-1,3,5-triiodobenzene
PubChem CID166018920
Molecular FormulaC8H4ClI3
Molecular Weight516.29 g/mol
Exact Mass515.71
IUPAC Name2-(1-chloroethenyl)-1,3,5-triiodobenzene
SMILESC=C(Cl)c1c(I)cc(I)cc1I
InChIInChI=1S/C8H4ClI3/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3H,1H2
InChIKeyZUBGCEYBVWHWIX-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.29
LogP ≤ 54.71
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 2-(1-chloroethenyl)-1,3,5-triiodobenzene?
The IUPAC name of 2-(1-chloroethenyl)-1,3,5-triiodobenzene (CID 166018920) is 2-(1-chloroethenyl)-1,3,5-triiodobenzene.
What is the SMILES notation for 2-(1-chloroethenyl)-1,3,5-triiodobenzene?
The canonical SMILES for 2-(1-chloroethenyl)-1,3,5-triiodobenzene is C=C(Cl)c1c(I)cc(I)cc1I.
What is the InChIKey of 2-(1-chloroethenyl)-1,3,5-triiodobenzene?
The InChIKey is ZUBGCEYBVWHWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClI3/c1-4(9)8-6(11)2-5(10)3-7(8)12/h2-3H,1H2.
What are the key properties of 2-(1-chloroethenyl)-1,3,5-triiodobenzene?
2-(1-chloroethenyl)-1,3,5-triiodobenzene has a molecular weight of 516.29 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethenyl)-1,3,5-triiodobenzene is sourced from PubChem (CID 166018920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).