4-fluoro-2-iodo-1-benzothiophen-5-ol

C8H4FIOS — CID 131000549

IUPAC4-fluoro-2-iodo-1-benzothiophen-5-ol
SMILESOc1ccc2sc(I)cc2c1F
InChIInChI=1S/C8H4FIOS/c9-8-4-3-7(10)12-6(4)2-1-5(8)11/h1-3,11H
InChIKeyHSKCDUPAXLSTOD-UHFFFAOYSA-N
MW294.09 g/mol
LogP3.35
Rot. Bonds

About 4-fluoro-2-iodo-1-benzothiophen-5-ol

4-fluoro-2-iodo-1-benzothiophen-5-ol (PubChem CID 131000549) has the molecular formula C8H4FIOS and a molecular weight of 294.09 g/mol. Its IUPAC name is 4-fluoro-2-iodo-1-benzothiophen-5-ol.

Molecular Properties

Compound Name4-fluoro-2-iodo-1-benzothiophen-5-ol
PubChem CID131000549
Molecular FormulaC8H4FIOS
Molecular Weight294.09 g/mol
Exact Mass293.90
IUPAC Name4-fluoro-2-iodo-1-benzothiophen-5-ol
SMILESOc1ccc2sc(I)cc2c1F
InChIInChI=1S/C8H4FIOS/c9-8-4-3-7(10)12-6(4)2-1-5(8)11/h1-3,11H
InChIKeyHSKCDUPAXLSTOD-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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-iodo-1-benzothiophen-5-ol?
The IUPAC name of 4-fluoro-2-iodo-1-benzothiophen-5-ol (CID 131000549) is 4-fluoro-2-iodo-1-benzothiophen-5-ol.
What is the SMILES notation for 4-fluoro-2-iodo-1-benzothiophen-5-ol?
The canonical SMILES for 4-fluoro-2-iodo-1-benzothiophen-5-ol is Oc1ccc2sc(I)cc2c1F.
What is the InChIKey of 4-fluoro-2-iodo-1-benzothiophen-5-ol?
The InChIKey is HSKCDUPAXLSTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4FIOS/c9-8-4-3-7(10)12-6(4)2-1-5(8)11/h1-3,11H.
What are the key properties of 4-fluoro-2-iodo-1-benzothiophen-5-ol?
4-fluoro-2-iodo-1-benzothiophen-5-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 4-fluoro-2-iodo-1-benzothiophen-5-ol is sourced from PubChem (CID 131000549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).