6,7-difluoro-4-iodo-1-benzothiophene

C8H3F2IS — CID 130877264

IUPAC6,7-difluoro-4-iodo-1-benzothiophene
SMILESFc1cc(I)c2ccsc2c1F
InChIInChI=1S/C8H3F2IS/c9-5-3-6(11)4-1-2-12-8(4)7(5)10/h1-3H
InChIKeyMLTHYHZFTIUUIM-UHFFFAOYSA-N
MW296.08 g/mol
LogP3.78
Rot. Bonds

About 6,7-difluoro-4-iodo-1-benzothiophene

6,7-difluoro-4-iodo-1-benzothiophene (PubChem CID 130877264) has the molecular formula C8H3F2IS and a molecular weight of 296.08 g/mol. Its IUPAC name is 6,7-difluoro-4-iodo-1-benzothiophene.

Molecular Properties

Compound Name6,7-difluoro-4-iodo-1-benzothiophene
PubChem CID130877264
Molecular FormulaC8H3F2IS
Molecular Weight296.08 g/mol
Exact Mass295.90
IUPAC Name6,7-difluoro-4-iodo-1-benzothiophene
SMILESFc1cc(I)c2ccsc2c1F
InChIInChI=1S/C8H3F2IS/c9-5-3-6(11)4-1-2-12-8(4)7(5)10/h1-3H
InChIKeyMLTHYHZFTIUUIM-UHFFFAOYSA-N
XLogP3.78
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.08
LogP ≤ 53.78
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
5-fluoro-4,7-diiodo-1-benzothiophene
CID 130788097
6,7-difluoro-1-benzothiophene-4-carbaldehyde
CID 130961010
(6,7-difluoro-1-benzothiophen-4-yl)methanol
CID 130877241
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
4-iodo-7-methoxy-1-benzothiophen-6-amine
CID 130788859
4-fluoro-5-iodo-7-methylsulfanyl-1-benzothiophene
CID 131145532
4-iodo-6,7-dimethoxy-1-benzothiophene
CID 131033981
7-(chloromethyl)-4,5-difluoro-1-benzothiophene
CID 130786097

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4-iodo-1-benzothiophene?
The IUPAC name of 6,7-difluoro-4-iodo-1-benzothiophene (CID 130877264) is 6,7-difluoro-4-iodo-1-benzothiophene.
What is the SMILES notation for 6,7-difluoro-4-iodo-1-benzothiophene?
The canonical SMILES for 6,7-difluoro-4-iodo-1-benzothiophene is Fc1cc(I)c2ccsc2c1F.
What is the InChIKey of 6,7-difluoro-4-iodo-1-benzothiophene?
The InChIKey is MLTHYHZFTIUUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2IS/c9-5-3-6(11)4-1-2-12-8(4)7(5)10/h1-3H.
What are the key properties of 6,7-difluoro-4-iodo-1-benzothiophene?
6,7-difluoro-4-iodo-1-benzothiophene has a molecular weight of 296.08 g/mol, XLogP of 3.78, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4-iodo-1-benzothiophene is sourced from PubChem (CID 130877264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).