5-fluoro-4-iodo-1-benzothiophen-3-ol

C8H4FIOS — CID 131057300

IUPAC5-fluoro-4-iodo-1-benzothiophen-3-ol
SMILESOc1csc2ccc(F)c(I)c12
InChIInChI=1S/C8H4FIOS/c9-4-1-2-6-7(8(4)10)5(11)3-12-6/h1-3,11H
InChIKeyMMZAHOOFXZBHKY-UHFFFAOYSA-N
MW294.09 g/mol
LogP3.35
Rot. Bonds

About 5-fluoro-4-iodo-1-benzothiophen-3-ol

5-fluoro-4-iodo-1-benzothiophen-3-ol (PubChem CID 131057300) has the molecular formula C8H4FIOS and a molecular weight of 294.09 g/mol. Its IUPAC name is 5-fluoro-4-iodo-1-benzothiophen-3-ol.

Molecular Properties

Compound Name5-fluoro-4-iodo-1-benzothiophen-3-ol
PubChem CID131057300
Molecular FormulaC8H4FIOS
Molecular Weight294.09 g/mol
Exact Mass293.90
IUPAC Name5-fluoro-4-iodo-1-benzothiophen-3-ol
SMILESOc1csc2ccc(F)c(I)c12
InChIInChI=1S/C8H4FIOS/c9-4-1-2-6-7(8(4)10)5(11)3-12-6/h1-3,11H
InChIKeyMMZAHOOFXZBHKY-UHFFFAOYSA-N
XLogP3.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.09
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_hydroxy(28)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1-benzothiophen-3-ol
CID 14555197
4-(hydroxymethyl)-5-methyl-1-benzothiophen-3-ol
CID 131014621
4-ethyl-3-fluoro-5-iodo-1-benzothiophene
CID 130816872
3-hydroxy-4-sulfanyl-1-benzothiophene-5-carbaldehyde
CID 130913564
4-bromo-5-fluoro-1-benzothiophene-3-thiol
CID 130914607
5-bromo-3-iodo-1-benzothiophen-4-ol
CID 130901172
2-(3,4-difluoro-2-iodophenyl)phenol
CID 172627178
4-(difluoromethyl)-5-fluoro-3-methyl-1-benzothiophene
CID 130870686
5-ethyl-4-fluoro-3-iodo-1-benzothiophene
CID 130870716
3-hydroxy-5-methoxy-1-benzothiophene-4-carbaldehyde
CID 130913403
3-bromo-4-fluoro-1-benzothiophen-7-ol
CID 131053544
3-(bromomethyl)-4-chloro-5-fluoro-1-benzothiophene
CID 131075995

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-iodo-1-benzothiophen-3-ol?
The IUPAC name of 5-fluoro-4-iodo-1-benzothiophen-3-ol (CID 131057300) is 5-fluoro-4-iodo-1-benzothiophen-3-ol.
What is the SMILES notation for 5-fluoro-4-iodo-1-benzothiophen-3-ol?
The canonical SMILES for 5-fluoro-4-iodo-1-benzothiophen-3-ol is Oc1csc2ccc(F)c(I)c12.
What is the InChIKey of 5-fluoro-4-iodo-1-benzothiophen-3-ol?
The InChIKey is MMZAHOOFXZBHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIOS/c9-4-1-2-6-7(8(4)10)5(11)3-12-6/h1-3,11H.
What are the key properties of 5-fluoro-4-iodo-1-benzothiophen-3-ol?
5-fluoro-4-iodo-1-benzothiophen-3-ol has a molecular weight of 294.09 g/mol, XLogP of 3.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-iodo-1-benzothiophen-3-ol is sourced from PubChem (CID 131057300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).