5-fluoro-4,7-diiodo-1-benzothiophene

C8H3FI2S — CID 130788097

IUPAC5-fluoro-4,7-diiodo-1-benzothiophene
SMILESFc1cc(I)c2sccc2c1I
InChIInChI=1S/C8H3FI2S/c9-5-3-6(10)8-4(7(5)11)1-2-12-8/h1-3H
InChIKeyXFQADTHRQODMDC-UHFFFAOYSA-N
MW403.99 g/mol
LogP4.25
Rot. Bonds

About 5-fluoro-4,7-diiodo-1-benzothiophene

5-fluoro-4,7-diiodo-1-benzothiophene (PubChem CID 130788097) has the molecular formula C8H3FI2S and a molecular weight of 403.99 g/mol. Its IUPAC name is 5-fluoro-4,7-diiodo-1-benzothiophene.

Molecular Properties

Compound Name5-fluoro-4,7-diiodo-1-benzothiophene
PubChem CID130788097
Molecular FormulaC8H3FI2S
Molecular Weight403.99 g/mol
Exact Mass403.80
IUPAC Name5-fluoro-4,7-diiodo-1-benzothiophene
SMILESFc1cc(I)c2sccc2c1I
InChIInChI=1S/C8H3FI2S/c9-5-3-6(10)8-4(7(5)11)1-2-12-8/h1-3H
InChIKeyXFQADTHRQODMDC-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.99
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-4,7-diiodo-1-benzothiophene
CID 130883078
4,7-diiodo-5-methyl-1-benzothiophene
CID 130805284
6,7-difluoro-4-iodo-1-benzothiophene
CID 130877264
7-fluoro-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 130913449
5,7-diiodo-4-methylsulfanyl-1-benzothiophene
CID 130969546
7-bromo-5-fluoro-6-iodo-1-benzothiophene
CID 130955655
4-(bromomethyl)-6,7-diiodo-1-benzothiophene
CID 131169476
4-fluoro-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 131145532
7-iodo-5-sulfanyl-1-benzothiophene-4-carbonitrile
CID 131080373
7-(difluoromethyl)-4-iodo-5-methyl-1-benzothiophene
CID 131215693
4,6-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130805428
7-bromo-4-fluoro-1-benzothiophene-6-thiol
CID 131001207

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4,7-diiodo-1-benzothiophene?
The IUPAC name of 5-fluoro-4,7-diiodo-1-benzothiophene (CID 130788097) is 5-fluoro-4,7-diiodo-1-benzothiophene.
What is the SMILES notation for 5-fluoro-4,7-diiodo-1-benzothiophene?
The canonical SMILES for 5-fluoro-4,7-diiodo-1-benzothiophene is Fc1cc(I)c2sccc2c1I.
What is the InChIKey of 5-fluoro-4,7-diiodo-1-benzothiophene?
The InChIKey is XFQADTHRQODMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FI2S/c9-5-3-6(10)8-4(7(5)11)1-2-12-8/h1-3H.
What are the key properties of 5-fluoro-4,7-diiodo-1-benzothiophene?
5-fluoro-4,7-diiodo-1-benzothiophene has a molecular weight of 403.99 g/mol, XLogP of 4.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,7-diiodo-1-benzothiophene is sourced from PubChem (CID 130788097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).