2,5-difluorothiophene-3,4-disulfonic acid

C4H2F2O6S3 — CID 126749977

IUPAC2,5-difluorothiophene-3,4-disulfonic acid
SMILESO=S(=O)(O)c1c(F)sc(F)c1S(=O)(=O)O
InChIInChI=1S/C4H2F2O6S3/c5-3-1(14(7,8)9)2(4(6)13-3)15(10,11)12/h(H,7,8,9)(H,10,11,12)
InChIKeyGEIBQKYDPNGGHR-UHFFFAOYSA-N
MW280.25 g/mol
LogP0.52
Rot. Bonds2

About 2,5-difluorothiophene-3,4-disulfonic acid

2,5-difluorothiophene-3,4-disulfonic acid (PubChem CID 126749977) has the molecular formula C4H2F2O6S3 and a molecular weight of 280.25 g/mol. Its IUPAC name is 2,5-difluorothiophene-3,4-disulfonic acid.

Molecular Properties

Compound Name2,5-difluorothiophene-3,4-disulfonic acid
PubChem CID126749977
Molecular FormulaC4H2F2O6S3
Molecular Weight280.25 g/mol
Exact Mass279.90
IUPAC Name2,5-difluorothiophene-3,4-disulfonic acid
SMILESO=S(=O)(O)c1c(F)sc(F)c1S(=O)(=O)O
InChIInChI=1S/C4H2F2O6S3/c5-3-1(14(7,8)9)2(4(6)13-3)15(10,11)12/h(H,7,8,9)(H,10,11,12)
InChIKeyGEIBQKYDPNGGHR-UHFFFAOYSA-N
XLogP0.52
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2,5-difluorothiophene-3,4-disulfonic acid?
The IUPAC name of 2,5-difluorothiophene-3,4-disulfonic acid (CID 126749977) is 2,5-difluorothiophene-3,4-disulfonic acid.
What is the SMILES notation for 2,5-difluorothiophene-3,4-disulfonic acid?
The canonical SMILES for 2,5-difluorothiophene-3,4-disulfonic acid is O=S(=O)(O)c1c(F)sc(F)c1S(=O)(=O)O.
What is the InChIKey of 2,5-difluorothiophene-3,4-disulfonic acid?
The InChIKey is GEIBQKYDPNGGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F2O6S3/c5-3-1(14(7,8)9)2(4(6)13-3)15(10,11)12/h(H,7,8,9)(H,10,11,12).
What are the key properties of 2,5-difluorothiophene-3,4-disulfonic acid?
2,5-difluorothiophene-3,4-disulfonic acid has a molecular weight of 280.25 g/mol, XLogP of 0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluorothiophene-3,4-disulfonic acid is sourced from PubChem (CID 126749977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).