4,5-difluorothiophene-2-sulfonic acid

C4H2F2O3S2 — CID 126749965

IUPAC4,5-difluorothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(F)c(F)s1
InChIInChI=1S/C4H2F2O3S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H,(H,7,8,9)
InChIKeyUHTQVRAADSDYCQ-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.27
Rot. Bonds1

About 4,5-difluorothiophene-2-sulfonic acid

4,5-difluorothiophene-2-sulfonic acid (PubChem CID 126749965) has the molecular formula C4H2F2O3S2 and a molecular weight of 200.19 g/mol. Its IUPAC name is 4,5-difluorothiophene-2-sulfonic acid.

Molecular Properties

Compound Name4,5-difluorothiophene-2-sulfonic acid
PubChem CID126749965
Molecular FormulaC4H2F2O3S2
Molecular Weight200.19 g/mol
Exact Mass199.94
IUPAC Name4,5-difluorothiophene-2-sulfonic acid
SMILESO=S(=O)(O)c1cc(F)c(F)s1
InChIInChI=1S/C4H2F2O3S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H,(H,7,8,9)
InChIKeyUHTQVRAADSDYCQ-UHFFFAOYSA-N
XLogP1.27
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluorothiophene-2-sulfonic acid?
The IUPAC name of 4,5-difluorothiophene-2-sulfonic acid (CID 126749965) is 4,5-difluorothiophene-2-sulfonic acid.
What is the SMILES notation for 4,5-difluorothiophene-2-sulfonic acid?
The canonical SMILES for 4,5-difluorothiophene-2-sulfonic acid is O=S(=O)(O)c1cc(F)c(F)s1.
What is the InChIKey of 4,5-difluorothiophene-2-sulfonic acid?
The InChIKey is UHTQVRAADSDYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2O3S2/c5-2-1-3(10-4(2)6)11(7,8)9/h1H,(H,7,8,9).
What are the key properties of 4,5-difluorothiophene-2-sulfonic acid?
4,5-difluorothiophene-2-sulfonic acid has a molecular weight of 200.19 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluorothiophene-2-sulfonic acid is sourced from PubChem (CID 126749965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).