1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid

C3HF7O6S2 — CID 91127376

IUPAC1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)OF
InChIInChI=1S/C3HF7O6S2/c4-1(5,2(6,7)17(11,12)13)3(8,9)18(14,15)16-10/h(H,11,12,13)
InChIKeyRIYMFAMDHXIKJZ-UHFFFAOYSA-N
MW330.16 g/mol
LogP0.93
Rot. Bonds5

About 1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid

1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid (PubChem CID 91127376) has the molecular formula C3HF7O6S2 and a molecular weight of 330.16 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid
PubChem CID91127376
Molecular FormulaC3HF7O6S2
Molecular Weight330.16 g/mol
Exact Mass329.91
IUPAC Name1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)OF
InChIInChI=1S/C3HF7O6S2/c4-1(5,2(6,7)17(11,12)13)3(8,9)18(14,15)16-10/h(H,11,12,13)
InChIKeyRIYMFAMDHXIKJZ-UHFFFAOYSA-N
XLogP0.93
TPSA97.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.16
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride
CID 173109555
lithium;fluoro 1,1,2,2,2-pentafluoroethanesulfonate;hydride
CID 173320914
1,1,2,2,3,3-hexafluoro-3-sulfamoylpropane-1-sulfonic acid
CID 151994142
1,1,2,2,3,3-hexafluoro-3-(4-methylphenoxy)sulfonylpropane-1-sulfonic acid
CID 58364139
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
CID 173196652
2,2,3,3,4,4-hexafluorobutane-1,1,1,4-tetrasulfonic acid
CID 87431727
1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propane-1-sulfonic acid
CID 139597355
3-(3,5-ditert-butylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 59833693
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride
CID 174742552
lithium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
CID 173020254
1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid;zirconium
CID 174978551
sodium perfluoroheptanesulfonate
CID 87558139

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid (CID 91127376) is 1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)OF.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid?
The InChIKey is RIYMFAMDHXIKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O6S2/c4-1(5,2(6,7)17(11,12)13)3(8,9)18(14,15)16-10/h(H,11,12,13).
What are the key properties of 1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid?
1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid has a molecular weight of 330.16 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3-hexafluoro-3-fluorooxysulfonylpropane-1-sulfonic acid is sourced from PubChem (CID 91127376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).