1-chloro-4-(2,2-diiodoethenyl)benzene

C8H5ClI2 — CID 6422982

IUPAC1-chloro-4-(2,2-diiodoethenyl)benzene
SMILESClc1ccc(C=C(I)I)cc1
InChIInChI=1S/C8H5ClI2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-5H
InChIKeyHZYXGJOCBOJUPD-UHFFFAOYSA-N
MW390.39 g/mol
LogP4.51
Rot. Bonds1

About 1-chloro-4-(2,2-diiodoethenyl)benzene

1-chloro-4-(2,2-diiodoethenyl)benzene (PubChem CID 6422982) has the molecular formula C8H5ClI2 and a molecular weight of 390.39 g/mol. Its IUPAC name is 1-chloro-4-(2,2-diiodoethenyl)benzene.

Molecular Properties

Compound Name1-chloro-4-(2,2-diiodoethenyl)benzene
PubChem CID6422982
Molecular FormulaC8H5ClI2
Molecular Weight390.39 g/mol
Exact Mass389.82
IUPAC Name1-chloro-4-(2,2-diiodoethenyl)benzene
SMILESClc1ccc(C=C(I)I)cc1
InChIInChI=1S/C8H5ClI2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-5H
InChIKeyHZYXGJOCBOJUPD-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 54.51
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

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1-[(E)-2-bromoethenyl]-4-chlorobenzene
CID 5372382
(E)-3-(4-chlorophenyl)-2-(trifluoromethyl)prop-2-enal
CID 115040534
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CID 68707841
(NE)-N-[(E)-4-(4-chlorophenyl)-3-methylbut-3-en-2-ylidene]hydroxylamine
CID 172987414
(E)-3-(4-chlorophenyl)-2-methylprop-2-enoic acid;ethane
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2,3-bis(4-chlorophenyl)prop-2-enenitrile
CID 19419

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2,2-diiodoethenyl)benzene?
The IUPAC name of 1-chloro-4-(2,2-diiodoethenyl)benzene (CID 6422982) is 1-chloro-4-(2,2-diiodoethenyl)benzene.
What is the SMILES notation for 1-chloro-4-(2,2-diiodoethenyl)benzene?
The canonical SMILES for 1-chloro-4-(2,2-diiodoethenyl)benzene is Clc1ccc(C=C(I)I)cc1.
What is the InChIKey of 1-chloro-4-(2,2-diiodoethenyl)benzene?
The InChIKey is HZYXGJOCBOJUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClI2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-5H.
What are the key properties of 1-chloro-4-(2,2-diiodoethenyl)benzene?
1-chloro-4-(2,2-diiodoethenyl)benzene has a molecular weight of 390.39 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2,2-diiodoethenyl)benzene is sourced from PubChem (CID 6422982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).