7-fluoro-3-iodo-6-methoxy-1-benzothiophene

C9H6FIOS — CID 130792106

IUPAC7-fluoro-3-iodo-6-methoxy-1-benzothiophene
SMILESCOc1ccc2c(I)csc2c1F
InChIInChI=1S/C9H6FIOS/c1-12-7-3-2-5-6(11)4-13-9(5)8(7)10/h2-4H,1H3
InChIKeyBYGBJAJCVNUODK-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.65
Rot. Bonds1

About 7-fluoro-3-iodo-6-methoxy-1-benzothiophene

7-fluoro-3-iodo-6-methoxy-1-benzothiophene (PubChem CID 130792106) has the molecular formula C9H6FIOS and a molecular weight of 308.12 g/mol. Its IUPAC name is 7-fluoro-3-iodo-6-methoxy-1-benzothiophene.

Molecular Properties

Compound Name7-fluoro-3-iodo-6-methoxy-1-benzothiophene
PubChem CID130792106
Molecular FormulaC9H6FIOS
Molecular Weight308.12 g/mol
Exact Mass307.92
IUPAC Name7-fluoro-3-iodo-6-methoxy-1-benzothiophene
SMILESCOc1ccc2c(I)csc2c1F
InChIInChI=1S/C9H6FIOS/c1-12-7-3-2-5-6(11)4-13-9(5)8(7)10/h2-4H,1H3
InChIKeyBYGBJAJCVNUODK-UHFFFAOYSA-N
XLogP3.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
CID 130839755
4,6-difluoro-3,7-dimethoxydibenzothiophene;ethane
CID 159323591
6-bromo-3-iodo-7-methoxy-1-benzothiophene
CID 130805844
1,5-diiodo-4,8-dimethoxynaphthalene
CID 11236006
7-fluoro-6-methoxy-1-benzothiophene
CID 83915045
5-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 131169453
6-iodo-3-methoxy-1-benzothiophene-7-thiol
CID 130839599
4,6-difluoro-7-methoxydibenzothiophen-3-ol
CID 131993041
3-fluoro-6-methoxy-1-benzothiophen-7-ol
CID 131196384
4,6-difluoro-3-methoxy-7-propan-2-yloxydibenzothiophene
CID 169258981
6-fluoro-3-methoxy-1-benzothiophene-7-thiol
CID 130827059
4,6-difluoro-3-methoxy-7-(trifluoromethylperoxy)dibenzothiophene
CID 134381380

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-iodo-6-methoxy-1-benzothiophene?
The IUPAC name of 7-fluoro-3-iodo-6-methoxy-1-benzothiophene (CID 130792106) is 7-fluoro-3-iodo-6-methoxy-1-benzothiophene.
What is the SMILES notation for 7-fluoro-3-iodo-6-methoxy-1-benzothiophene?
The canonical SMILES for 7-fluoro-3-iodo-6-methoxy-1-benzothiophene is COc1ccc2c(I)csc2c1F.
What is the InChIKey of 7-fluoro-3-iodo-6-methoxy-1-benzothiophene?
The InChIKey is BYGBJAJCVNUODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIOS/c1-12-7-3-2-5-6(11)4-13-9(5)8(7)10/h2-4H,1H3.
What are the key properties of 7-fluoro-3-iodo-6-methoxy-1-benzothiophene?
7-fluoro-3-iodo-6-methoxy-1-benzothiophene has a molecular weight of 308.12 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-iodo-6-methoxy-1-benzothiophene is sourced from PubChem (CID 130792106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).