1-iodo-2-(1,2,2-triiodoethenyl)benzene

C8H4I4 — CID 139766406

IUPAC1-iodo-2-(1,2,2-triiodoethenyl)benzene
SMILESIC(I)=C(I)c1ccccc1I
InChIInChI=1S/C8H4I4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H
InChIKeyMBKGFEDBSUKUOW-UHFFFAOYSA-N
MW607.74 g/mol
LogP5.22
Rot. Bonds1

About 1-iodo-2-(1,2,2-triiodoethenyl)benzene

1-iodo-2-(1,2,2-triiodoethenyl)benzene (PubChem CID 139766406) has the molecular formula C8H4I4 and a molecular weight of 607.74 g/mol. Its IUPAC name is 1-iodo-2-(1,2,2-triiodoethenyl)benzene.

Molecular Properties

Compound Name1-iodo-2-(1,2,2-triiodoethenyl)benzene
PubChem CID139766406
Molecular FormulaC8H4I4
Molecular Weight607.74 g/mol
Exact Mass607.65
IUPAC Name1-iodo-2-(1,2,2-triiodoethenyl)benzene
SMILESIC(I)=C(I)c1ccccc1I
InChIInChI=1S/C8H4I4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H
InChIKeyMBKGFEDBSUKUOW-UHFFFAOYSA-N
XLogP5.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.74
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

dichloromethane;2-iodobenzoyl chloride
CID 174929981
(2-iodophenyl)-phosphanylmethanone
CID 71171562
2-iodobenzamide
CID 160670857
N'-hydroxy-2-iodobenzenecarboximidamide
CID 6269117
1,2-diiodobenzene;tetrahydrofluoride
CID 174612997
methyl 2-iodobenzenecarbodithioate
CID 11737952
2-iodophenol
CID 10784
(Z)-1-(2-iodophenyl)-N-methylprop-1-en-1-amine
CID 156569404
phenyl 2-iodobenzoate
CID 11416063
(2-iodobenzoyl)oxyboronic acid
CID 134957148
1-fluoro-4-[1-(2-iodophenyl)ethenyl]benzene
CID 175448497
4-(2-iodophenyl)-4-oxobutanoic acid
CID 24727008

Frequently Asked Questions

What is the IUPAC name of 1-iodo-2-(1,2,2-triiodoethenyl)benzene?
The IUPAC name of 1-iodo-2-(1,2,2-triiodoethenyl)benzene (CID 139766406) is 1-iodo-2-(1,2,2-triiodoethenyl)benzene.
What is the SMILES notation for 1-iodo-2-(1,2,2-triiodoethenyl)benzene?
The canonical SMILES for 1-iodo-2-(1,2,2-triiodoethenyl)benzene is IC(I)=C(I)c1ccccc1I.
What is the InChIKey of 1-iodo-2-(1,2,2-triiodoethenyl)benzene?
The InChIKey is MBKGFEDBSUKUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4I4/c9-6-4-2-1-3-5(6)7(10)8(11)12/h1-4H.
What are the key properties of 1-iodo-2-(1,2,2-triiodoethenyl)benzene?
1-iodo-2-(1,2,2-triiodoethenyl)benzene has a molecular weight of 607.74 g/mol, XLogP of 5.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodo-2-(1,2,2-triiodoethenyl)benzene is sourced from PubChem (CID 139766406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).