1-(dichloromethyl)-4-iodobenzene

C7H5Cl2I — CID 86210274

IUPAC1-(dichloromethyl)-4-iodobenzene
SMILESClC(Cl)c1ccc(I)cc1
InChIInChI=1S/C7H5Cl2I/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H
InChIKeyWLNNWAAQPPRABK-UHFFFAOYSA-N
MW286.93 g/mol
LogP3.77
Rot. Bonds1

About 1-(dichloromethyl)-4-iodobenzene

1-(dichloromethyl)-4-iodobenzene (PubChem CID 86210274) has the molecular formula C7H5Cl2I and a molecular weight of 286.93 g/mol. Its IUPAC name is 1-(dichloromethyl)-4-iodobenzene.

Molecular Properties

Compound Name1-(dichloromethyl)-4-iodobenzene
PubChem CID86210274
Molecular FormulaC7H5Cl2I
Molecular Weight286.93 g/mol
Exact Mass285.88
IUPAC Name1-(dichloromethyl)-4-iodobenzene
SMILESClC(Cl)c1ccc(I)cc1
InChIInChI=1S/C7H5Cl2I/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H
InChIKeyWLNNWAAQPPRABK-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.93
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(dichloromethyl)-4-iodobenzene?
The IUPAC name of 1-(dichloromethyl)-4-iodobenzene (CID 86210274) is 1-(dichloromethyl)-4-iodobenzene.
What is the SMILES notation for 1-(dichloromethyl)-4-iodobenzene?
The canonical SMILES for 1-(dichloromethyl)-4-iodobenzene is ClC(Cl)c1ccc(I)cc1.
What is the InChIKey of 1-(dichloromethyl)-4-iodobenzene?
The InChIKey is WLNNWAAQPPRABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2I/c8-7(9)5-1-3-6(10)4-2-5/h1-4,7H.
What are the key properties of 1-(dichloromethyl)-4-iodobenzene?
1-(dichloromethyl)-4-iodobenzene has a molecular weight of 286.93 g/mol, XLogP of 3.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dichloromethyl)-4-iodobenzene is sourced from PubChem (CID 86210274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).