2,6-difluorobenzenesulfonic acid

C6H4F2O3S — CID 14766952

IUPAC2,6-difluorobenzenesulfonic acid
SMILESO=S(=O)(O)c1c(F)cccc1F
InChIInChI=1S/C6H4F2O3S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H,9,10,11)
InChIKeyHHSDIWAVOYCKAW-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.21
Rot. Bonds1

About 2,6-difluorobenzenesulfonic acid

2,6-difluorobenzenesulfonic acid (PubChem CID 14766952) has the molecular formula C6H4F2O3S and a molecular weight of 194.16 g/mol. Its IUPAC name is 2,6-difluorobenzenesulfonic acid.

Molecular Properties

Compound Name2,6-difluorobenzenesulfonic acid
PubChem CID14766952
Molecular FormulaC6H4F2O3S
Molecular Weight194.16 g/mol
Exact Mass193.98
IUPAC Name2,6-difluorobenzenesulfonic acid
SMILESO=S(=O)(O)c1c(F)cccc1F
InChIInChI=1S/C6H4F2O3S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H,9,10,11)
InChIKeyHHSDIWAVOYCKAW-UHFFFAOYSA-N
XLogP1.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-difluorobenzenesulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-difluorobenzenesulfonic acid?
The IUPAC name of 2,6-difluorobenzenesulfonic acid (CID 14766952) is 2,6-difluorobenzenesulfonic acid.
What is the SMILES notation for 2,6-difluorobenzenesulfonic acid?
The canonical SMILES for 2,6-difluorobenzenesulfonic acid is O=S(=O)(O)c1c(F)cccc1F.
What is the InChIKey of 2,6-difluorobenzenesulfonic acid?
The InChIKey is HHSDIWAVOYCKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F2O3S/c7-4-2-1-3-5(8)6(4)12(9,10)11/h1-3H,(H,9,10,11).
What are the key properties of 2,6-difluorobenzenesulfonic acid?
2,6-difluorobenzenesulfonic acid has a molecular weight of 194.16 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluorobenzenesulfonic acid is sourced from PubChem (CID 14766952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).