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

C9H6FIOS — CID 131169453

IUPAC5-fluoro-3-iodo-6-methoxy-1-benzothiophene
SMILESCOc1cc2scc(I)c2cc1F
InChIInChI=1S/C9H6FIOS/c1-12-8-3-9-5(2-6(8)10)7(11)4-13-9/h2-4H,1H3
InChIKeyAEZCFASYSVSHAX-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.65
Rot. Bonds1

About 5-fluoro-3-iodo-6-methoxy-1-benzothiophene

5-fluoro-3-iodo-6-methoxy-1-benzothiophene (PubChem CID 131169453) has the molecular formula C9H6FIOS and a molecular weight of 308.12 g/mol. Its IUPAC name is 5-fluoro-3-iodo-6-methoxy-1-benzothiophene.

Molecular Properties

Compound Name5-fluoro-3-iodo-6-methoxy-1-benzothiophene
PubChem CID131169453
Molecular FormulaC9H6FIOS
Molecular Weight308.12 g/mol
Exact Mass307.92
IUPAC Name5-fluoro-3-iodo-6-methoxy-1-benzothiophene
SMILESCOc1cc2scc(I)c2cc1F
InChIInChI=1S/C9H6FIOS/c1-12-8-3-9-5(2-6(8)10)7(11)4-13-9/h2-4H,1H3
InChIKeyAEZCFASYSVSHAX-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

5-bromo-3-iodo-6-methoxy-1-benzothiophene
CID 130884034
3-iodo-5-methoxy-1-benzothiophene-6-thiol
CID 130788340
5-fluoro-6-methoxy-1-benzothiophene-3-carbonitrile
CID 130803928
5-(chloromethyl)-3-fluoro-6-methoxy-1-benzothiophene
CID 130840050
3-fluoro-5-methoxy-1-benzothiophen-6-ol
CID 131150696
6-chloro-3-fluoro-5-methoxy-1-benzothiophene
CID 130969688
7-fluoro-3-iodo-6-methoxy-1-benzothiophene
CID 130792106
5-(chloromethyl)-6-iodo-3-methoxy-1-benzothiophene
CID 131146490
3-iodo-5-methylsulfanyl-1-benzothiophen-6-ol
CID 130942213
3-fluoro-5-iodo-1-benzothiophen-6-amine
CID 130788932
3,7-diiodo-5-methoxy-1-benzothiophene
CID 130866328
5-iodo-6-methoxy-1-benzothiophen-4-amine
CID 130955850

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-iodo-6-methoxy-1-benzothiophene?
The IUPAC name of 5-fluoro-3-iodo-6-methoxy-1-benzothiophene (CID 131169453) is 5-fluoro-3-iodo-6-methoxy-1-benzothiophene.
What is the SMILES notation for 5-fluoro-3-iodo-6-methoxy-1-benzothiophene?
The canonical SMILES for 5-fluoro-3-iodo-6-methoxy-1-benzothiophene is COc1cc2scc(I)c2cc1F.
What is the InChIKey of 5-fluoro-3-iodo-6-methoxy-1-benzothiophene?
The InChIKey is AEZCFASYSVSHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIOS/c1-12-8-3-9-5(2-6(8)10)7(11)4-13-9/h2-4H,1H3.
What are the key properties of 5-fluoro-3-iodo-6-methoxy-1-benzothiophene?
5-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 5-fluoro-3-iodo-6-methoxy-1-benzothiophene is sourced from PubChem (CID 131169453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).