2-tert-butyl-5-fluoro-3-iodofuran

C8H10FIO — CID 146377026

IUPAC2-tert-butyl-5-fluoro-3-iodofuran
SMILESCC(C)(C)c1oc(F)cc1I
InChIInChI=1S/C8H10FIO/c1-8(2,3)7-5(10)4-6(9)11-7/h4H,1-3H3
InChIKeyIRQPBHYIWZGLBY-UHFFFAOYSA-N
MW268.07 g/mol
LogP3.32
Rot. Bonds

About 2-tert-butyl-5-fluoro-3-iodofuran

2-tert-butyl-5-fluoro-3-iodofuran (PubChem CID 146377026) has the molecular formula C8H10FIO and a molecular weight of 268.07 g/mol. Its IUPAC name is 2-tert-butyl-5-fluoro-3-iodofuran.

Molecular Properties

Compound Name2-tert-butyl-5-fluoro-3-iodofuran
PubChem CID146377026
Molecular FormulaC8H10FIO
Molecular Weight268.07 g/mol
Exact Mass267.98
IUPAC Name2-tert-butyl-5-fluoro-3-iodofuran
SMILESCC(C)(C)c1oc(F)cc1I
InChIInChI=1S/C8H10FIO/c1-8(2,3)7-5(10)4-6(9)11-7/h4H,1-3H3
InChIKeyIRQPBHYIWZGLBY-UHFFFAOYSA-N
XLogP3.32
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.07
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-5-fluoro-3-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-tert-butyl-5-fluoro-3-iodofuran?
The IUPAC name of 2-tert-butyl-5-fluoro-3-iodofuran (CID 146377026) is 2-tert-butyl-5-fluoro-3-iodofuran.
What is the SMILES notation for 2-tert-butyl-5-fluoro-3-iodofuran?
The canonical SMILES for 2-tert-butyl-5-fluoro-3-iodofuran is CC(C)(C)c1oc(F)cc1I.
What is the InChIKey of 2-tert-butyl-5-fluoro-3-iodofuran?
The InChIKey is IRQPBHYIWZGLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FIO/c1-8(2,3)7-5(10)4-6(9)11-7/h4H,1-3H3.
What are the key properties of 2-tert-butyl-5-fluoro-3-iodofuran?
2-tert-butyl-5-fluoro-3-iodofuran has a molecular weight of 268.07 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-fluoro-3-iodofuran is sourced from PubChem (CID 146377026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).