2-iodofuran

C4H3IO — CID 11564629

IUPAC2-iodofuran
SMILESIc1ccco1
InChIInChI=1S/C4H3IO/c5-4-2-1-3-6-4/h1-3H
InChIKeyICWZZNUEYMBBRB-UHFFFAOYSA-N
MW193.97 g/mol
LogP1.88
Rot. Bonds

About 2-iodofuran

2-iodofuran (PubChem CID 11564629) has the molecular formula C4H3IO and a molecular weight of 193.97 g/mol. Its IUPAC name is 2-iodofuran.

Molecular Properties

Compound Name2-iodofuran
PubChem CID11564629
Molecular FormulaC4H3IO
Molecular Weight193.97 g/mol
Exact Mass193.92
IUPAC Name2-iodofuran
SMILESIc1ccco1
InChIInChI=1S/C4H3IO/c5-4-2-1-3-6-4/h1-3H
InChIKeyICWZZNUEYMBBRB-UHFFFAOYSA-N
XLogP1.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.97
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-iodofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-iodofuran?
The IUPAC name of 2-iodofuran (CID 11564629) is 2-iodofuran.
What is the SMILES notation for 2-iodofuran?
The canonical SMILES for 2-iodofuran is Ic1ccco1.
What is the InChIKey of 2-iodofuran?
The InChIKey is ICWZZNUEYMBBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3IO/c5-4-2-1-3-6-4/h1-3H.
What are the key properties of 2-iodofuran?
2-iodofuran has a molecular weight of 193.97 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodofuran is sourced from PubChem (CID 11564629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).