7-fluoro-2,3-diiodo-1-benzothiophene

C8H3FI2S — CID 130925510

IUPAC7-fluoro-2,3-diiodo-1-benzothiophene
SMILESFc1cccc2c(I)c(I)sc12
InChIInChI=1S/C8H3FI2S/c9-5-3-1-2-4-6(10)8(11)12-7(4)5/h1-3H
InChIKeyZNXXOCWBYUPBKN-UHFFFAOYSA-N
MW403.99 g/mol
LogP4.25
Rot. Bonds

About 7-fluoro-2,3-diiodo-1-benzothiophene

7-fluoro-2,3-diiodo-1-benzothiophene (PubChem CID 130925510) has the molecular formula C8H3FI2S and a molecular weight of 403.99 g/mol. Its IUPAC name is 7-fluoro-2,3-diiodo-1-benzothiophene.

Molecular Properties

Compound Name7-fluoro-2,3-diiodo-1-benzothiophene
PubChem CID130925510
Molecular FormulaC8H3FI2S
Molecular Weight403.99 g/mol
Exact Mass403.80
IUPAC Name7-fluoro-2,3-diiodo-1-benzothiophene
SMILESFc1cccc2c(I)c(I)sc12
InChIInChI=1S/C8H3FI2S/c9-5-3-1-2-4-6(10)8(11)12-7(4)5/h1-3H
InChIKeyZNXXOCWBYUPBKN-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-2,7-difluoro-1-benzothiophene
CID 130926138
2-fluoro-3-iodo-1-benzothiophene-7-thiol
CID 130855321
2-chloro-7-fluoro-1-benzothiophene-3-thiol
CID 131191064
2-bromo-7-fluoro-3-methyl-1-benzothiophene
CID 131080274
4-fluorothioxanthen-9-one
CID 54319807
(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine
CID 112546161
7-fluoro-2-methoxy-3-methyl-1-benzothiophene
CID 131098387
7-fluoro-3-methyl-1-benzothiophene-2-carbaldehyde
CID 82374290
4-fluoro-3-iodo-1-benzothiophen-2-amine
CID 130788725
3-tert-butyl-4,6-difluorodibenzothiophene
CID 153242561
1-fluoro-2,3-diiodobenzene
CID 10958978
(7-fluoro-1-benzothiophen-3-yl)methanamine
CID 83398009

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,3-diiodo-1-benzothiophene?
The IUPAC name of 7-fluoro-2,3-diiodo-1-benzothiophene (CID 130925510) is 7-fluoro-2,3-diiodo-1-benzothiophene.
What is the SMILES notation for 7-fluoro-2,3-diiodo-1-benzothiophene?
The canonical SMILES for 7-fluoro-2,3-diiodo-1-benzothiophene is Fc1cccc2c(I)c(I)sc12.
What is the InChIKey of 7-fluoro-2,3-diiodo-1-benzothiophene?
The InChIKey is ZNXXOCWBYUPBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FI2S/c9-5-3-1-2-4-6(10)8(11)12-7(4)5/h1-3H.
What are the key properties of 7-fluoro-2,3-diiodo-1-benzothiophene?
7-fluoro-2,3-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 7-fluoro-2,3-diiodo-1-benzothiophene is sourced from PubChem (CID 130925510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).