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

C9H6FIS — CID 131123102

IUPAC5-fluoro-6-iodo-4-methyl-1-benzothiophene
SMILESCc1c(F)c(I)cc2sccc12
InChIInChI=1S/C9H6FIS/c1-5-6-2-3-12-8(6)4-7(11)9(5)10/h2-4H,1H3
InChIKeyLUYABZHJEFGCOW-UHFFFAOYSA-N
MW292.12 g/mol
LogP3.95
Rot. Bonds

About 5-fluoro-6-iodo-4-methyl-1-benzothiophene

5-fluoro-6-iodo-4-methyl-1-benzothiophene (PubChem CID 131123102) has the molecular formula C9H6FIS and a molecular weight of 292.12 g/mol. Its IUPAC name is 5-fluoro-6-iodo-4-methyl-1-benzothiophene.

Molecular Properties

Compound Name5-fluoro-6-iodo-4-methyl-1-benzothiophene
PubChem CID131123102
Molecular FormulaC9H6FIS
Molecular Weight292.12 g/mol
Exact Mass291.92
IUPAC Name5-fluoro-6-iodo-4-methyl-1-benzothiophene
SMILESCc1c(F)c(I)cc2sccc12
InChIInChI=1S/C9H6FIS/c1-5-6-2-3-12-8(6)4-7(11)9(5)10/h2-4H,1H3
InChIKeyLUYABZHJEFGCOW-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'}

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Related Compounds

5,6-diiodo-4-methyl-1-benzothiophene
CID 130969316
6-ethyl-5-fluoro-4-iodo-1-benzothiophene
CID 130898645
5-bromo-6-iodo-4-methoxy-1-benzothiophene
CID 131059967
5-ethoxy-4,6-dimethyl-1-benzothiophene
CID 130955667
4-fluoro-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 131145532
6-iodo-4-methylsulfanyl-1-benzothiophene-5-carbaldehyde
CID 130941137
4-ethyl-6-iodo-1-benzothiophen-5-amine
CID 130866246
5,6-dimethoxy-4-methyl-1-benzothiophene
CID 131080478
4-amino-6-iodo-1-benzothiophene-5-thiol
CID 130821173
6,7-difluoro-4-iodo-1-benzothiophene
CID 130877264
4-ethyl-5-iodo-6-methylsulfanyl-1-benzothiophene
CID 131123133
(5-iodo-6-methyl-1-benzothiophen-4-yl)methanol
CID 130827054

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-iodo-4-methyl-1-benzothiophene?
The IUPAC name of 5-fluoro-6-iodo-4-methyl-1-benzothiophene (CID 131123102) is 5-fluoro-6-iodo-4-methyl-1-benzothiophene.
What is the SMILES notation for 5-fluoro-6-iodo-4-methyl-1-benzothiophene?
The canonical SMILES for 5-fluoro-6-iodo-4-methyl-1-benzothiophene is Cc1c(F)c(I)cc2sccc12.
What is the InChIKey of 5-fluoro-6-iodo-4-methyl-1-benzothiophene?
The InChIKey is LUYABZHJEFGCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIS/c1-5-6-2-3-12-8(6)4-7(11)9(5)10/h2-4H,1H3.
What are the key properties of 5-fluoro-6-iodo-4-methyl-1-benzothiophene?
5-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 5-fluoro-6-iodo-4-methyl-1-benzothiophene is sourced from PubChem (CID 131123102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).