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

C8H3FI2S — CID 130883078

IUPAC6-fluoro-4,7-diiodo-1-benzothiophene
SMILESFc1cc(I)c2ccsc2c1I
InChIInChI=1S/C8H3FI2S/c9-5-3-6(10)4-1-2-12-8(4)7(5)11/h1-3H
InChIKeyQEBOLHKEXFCIRK-UHFFFAOYSA-N
MW403.99 g/mol
LogP4.25
Rot. Bonds

About 6-fluoro-4,7-diiodo-1-benzothiophene

6-fluoro-4,7-diiodo-1-benzothiophene (PubChem CID 130883078) has the molecular formula C8H3FI2S and a molecular weight of 403.99 g/mol. Its IUPAC name is 6-fluoro-4,7-diiodo-1-benzothiophene.

Molecular Properties

Compound Name6-fluoro-4,7-diiodo-1-benzothiophene
PubChem CID130883078
Molecular FormulaC8H3FI2S
Molecular Weight403.99 g/mol
Exact Mass403.80
IUPAC Name6-fluoro-4,7-diiodo-1-benzothiophene
SMILESFc1cc(I)c2ccsc2c1I
InChIInChI=1S/C8H3FI2S/c9-5-3-6(10)4-1-2-12-8(4)7(5)11/h1-3H
InChIKeyQEBOLHKEXFCIRK-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

5-fluoro-4,7-diiodo-1-benzothiophene
CID 130788097
6,7-difluoro-4-iodo-1-benzothiophene
CID 130877264
7-fluoro-5-iodo-4-methylsulfanyl-1-benzothiophene
CID 130913449
4,6-diiodo-1-benzothiophene-7-thiol
CID 130969520
4,6-diiodo-7-methylsulfanyl-1-benzothiophene
CID 130805428
4,6-diiodo-7-methoxy-1-benzothiophene
CID 130926208
7-bromo-5-fluoro-6-iodo-1-benzothiophene
CID 130955655
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
4-(bromomethyl)-6,7-diiodo-1-benzothiophene
CID 131169476
4,7-diiodo-5-methyl-1-benzothiophene
CID 130805284
7-ethyl-4-iodo-6-methylsulfanyl-1-benzothiophene
CID 131196112
4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4,7-diiodo-1-benzothiophene?
The IUPAC name of 6-fluoro-4,7-diiodo-1-benzothiophene (CID 130883078) is 6-fluoro-4,7-diiodo-1-benzothiophene.
What is the SMILES notation for 6-fluoro-4,7-diiodo-1-benzothiophene?
The canonical SMILES for 6-fluoro-4,7-diiodo-1-benzothiophene is Fc1cc(I)c2ccsc2c1I.
What is the InChIKey of 6-fluoro-4,7-diiodo-1-benzothiophene?
The InChIKey is QEBOLHKEXFCIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FI2S/c9-5-3-6(10)4-1-2-12-8(4)7(5)11/h1-3H.
What are the key properties of 6-fluoro-4,7-diiodo-1-benzothiophene?
6-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 6-fluoro-4,7-diiodo-1-benzothiophene is sourced from PubChem (CID 130883078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).