3-fluoro-4-iodo-2-methoxy-1-benzothiophene

C9H6FIOS — CID 131145524

IUPAC3-fluoro-4-iodo-2-methoxy-1-benzothiophene
SMILESCOc1sc2cccc(I)c2c1F
InChIInChI=1S/C9H6FIOS/c1-12-9-8(10)7-5(11)3-2-4-6(7)13-9/h2-4H,1H3
InChIKeyVIBWUCLNFRAVAW-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.65
Rot. Bonds1

About 3-fluoro-4-iodo-2-methoxy-1-benzothiophene

3-fluoro-4-iodo-2-methoxy-1-benzothiophene (PubChem CID 131145524) has the molecular formula C9H6FIOS and a molecular weight of 308.12 g/mol. Its IUPAC name is 3-fluoro-4-iodo-2-methoxy-1-benzothiophene.

Molecular Properties

Compound Name3-fluoro-4-iodo-2-methoxy-1-benzothiophene
PubChem CID131145524
Molecular FormulaC9H6FIOS
Molecular Weight308.12 g/mol
Exact Mass307.92
IUPAC Name3-fluoro-4-iodo-2-methoxy-1-benzothiophene
SMILESCOc1sc2cccc(I)c2c1F
InChIInChI=1S/C9H6FIOS/c1-12-9-8(10)7-5(11)3-2-4-6(7)13-9/h2-4H,1H3
InChIKeyVIBWUCLNFRAVAW-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

3-fluoro-4-iodo-1-benzothiophene-2-carbaldehyde
CID 131219098
4-iodo-3-methyl-1-benzothiophen-2-ol
CID 130987143
3-ethyl-2-methoxy-1-benzothiophen-4-ol
CID 131196111
2-fluoro-3,4-dimethoxy-1-benzothiophene
CID 130786112
6-chloro-3-fluoro-2-methoxy-1-benzothiophene
CID 130898277
1,3-diiodo-2-methoxybenzene
CID 12610037
3-fluoro-4-methyl-2-methylsulfanyl-1-benzothiophene
CID 130971332
3-(difluoromethyl)-4-iodo-1-benzothiophen-2-amine
CID 130788534
4-fluoro-3-methoxy-1-benzothiophene-2-carbaldehyde
CID 130941215
(2-iodo-6-methoxyphenyl)silane
CID 158954394
3-(difluoromethyl)-2-iodo-4-methyl-1-benzothiophene
CID 131060261
4-fluoro-3-iodo-1-benzothiophen-2-amine
CID 130788725

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-iodo-2-methoxy-1-benzothiophene?
The IUPAC name of 3-fluoro-4-iodo-2-methoxy-1-benzothiophene (CID 131145524) is 3-fluoro-4-iodo-2-methoxy-1-benzothiophene.
What is the SMILES notation for 3-fluoro-4-iodo-2-methoxy-1-benzothiophene?
The canonical SMILES for 3-fluoro-4-iodo-2-methoxy-1-benzothiophene is COc1sc2cccc(I)c2c1F.
What is the InChIKey of 3-fluoro-4-iodo-2-methoxy-1-benzothiophene?
The InChIKey is VIBWUCLNFRAVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FIOS/c1-12-9-8(10)7-5(11)3-2-4-6(7)13-9/h2-4H,1H3.
What are the key properties of 3-fluoro-4-iodo-2-methoxy-1-benzothiophene?
3-fluoro-4-iodo-2-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 3-fluoro-4-iodo-2-methoxy-1-benzothiophene is sourced from PubChem (CID 131145524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).