2-fluoro-6-iodo-4-methyl-1-benzothiophene

C9H6FIS — CID 130884856

IUPAC2-fluoro-6-iodo-4-methyl-1-benzothiophene
SMILESCc1cc(I)cc2sc(F)cc12
InChIInChI=1S/C9H6FIS/c1-5-2-6(11)3-8-7(5)4-9(10)12-8/h2-4H,1H3
InChIKeyHPCSPJGKEBOIQT-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.95
Rot. Bonds

About 2-fluoro-6-iodo-4-methyl-1-benzothiophene

2-fluoro-6-iodo-4-methyl-1-benzothiophene (PubChem CID 130884856) has the molecular formula C9H6FIS and a molecular weight of 292.12 g/mol. Its IUPAC name is 2-fluoro-6-iodo-4-methyl-1-benzothiophene.

Molecular Properties

Compound Name2-fluoro-6-iodo-4-methyl-1-benzothiophene
PubChem CID130884856
Molecular FormulaC9H6FIS
Molecular Weight292.12 g/mol
Exact Mass291.92
IUPAC Name2-fluoro-6-iodo-4-methyl-1-benzothiophene
SMILESCc1cc(I)cc2sc(F)cc12
InChIInChI=1S/C9H6FIS/c1-5-2-6(11)3-8-7(5)4-9(10)12-8/h2-4H,1H3
InChIKeyHPCSPJGKEBOIQT-UHFFFAOYSA-N
XLogP3.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.12
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-fluoro-6-iodo-4-methyl-1-benzothiophene with MolForge

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

Launch Full Analysis

Related Compounds

2-(2-fluoro-6-iodo-1-benzothiophen-4-yl)acetonitrile
CID 130826501
6-iodo-4-methyl-1,2-benzothiazole
CID 143828653
2-fluoro-4-methoxy-5-methyl-1-benzothiophene
CID 130803509
2-fluoro-5-iodo-3-methylbenzaldehyde
CID 164891132
5-fluoro-2-methylthieno[3,2-b]thiophene
CID 129149078
5-bromo-2-fluoro-6-methyl-1-benzothiophene
CID 131075792
3,6-diiodo-4-methyl-1-benzothiophene
CID 130805281
2-fluoro-5-iodo-3-methylphenol
CID 164892490
3-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)-6-iodo-2-methyl-1-benzothiophene
CID 139643265
7-chloro-2-fluoro-4-methyl-1-benzothiophene
CID 131169637
2-fluoro-5-methylthieno[3,2-b]pyridine
CID 15290719
2,3,4,5-tetrafluoro-6-(4-iodo-2,6-dimethylphenoxy)carbonylbenzoic acid
CID 174246631

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-iodo-4-methyl-1-benzothiophene?
The IUPAC name of 2-fluoro-6-iodo-4-methyl-1-benzothiophene (CID 130884856) is 2-fluoro-6-iodo-4-methyl-1-benzothiophene.
What is the SMILES notation for 2-fluoro-6-iodo-4-methyl-1-benzothiophene?
The canonical SMILES for 2-fluoro-6-iodo-4-methyl-1-benzothiophene is Cc1cc(I)cc2sc(F)cc12.
What is the InChIKey of 2-fluoro-6-iodo-4-methyl-1-benzothiophene?
The InChIKey is HPCSPJGKEBOIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIS/c1-5-2-6(11)3-8-7(5)4-9(10)12-8/h2-4H,1H3.
What are the key properties of 2-fluoro-6-iodo-4-methyl-1-benzothiophene?
2-fluoro-6-iodo-4-methyl-1-benzothiophene has a molecular weight of 292.12 g/mol, XLogP of 3.95, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-iodo-4-methyl-1-benzothiophene is sourced from PubChem (CID 130884856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).