potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride

C3H3F6KO6S2 — CID 173109555

IUPACpotassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C3H2F6O6S2.K.H/c4-1(5,2(6,7)16(10,11)12)3(8,9)17(13,14)15;;/h(H,10,11,12)(H,13,14,15);;/q;+1;-1
InChIKeyPQONWACJJPPXGR-UHFFFAOYSA-N
MW352.27 g/mol
LogP-2.30
Rot. Bonds4

About potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride

potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride (PubChem CID 173109555) has the molecular formula C3H3F6KO6S2 and a molecular weight of 352.27 g/mol. Its IUPAC name is potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride.

Molecular Properties

Compound Namepotassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride
PubChem CID173109555
Molecular FormulaC3H3F6KO6S2
Molecular Weight352.27 g/mol
Exact Mass351.89
IUPAC Namepotassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.[H-].[K+]
InChIInChI=1S/C3H2F6O6S2.K.H/c4-1(5,2(6,7)16(10,11)12)3(8,9)17(13,14)15;;/h(H,10,11,12)(H,13,14,15);;/q;+1;-1
InChIKeyPQONWACJJPPXGR-UHFFFAOYSA-N
XLogP-2.30
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 5-2.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

1,1,2,2,3,3-hexafluoro-3-sulfamoylpropane-1-sulfonic acid
CID 151994142
lithium;hydride;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
CID 173020254
lithium;hydride;1,1,2,2,2-pentafluoroethanesulfonic acid
CID 173036129
potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
CID 173464040
calcium;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid;hydride
CID 173344438
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-fluorooxysulfonylpropane-1-sulfonic acid
CID 91127376
1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid;hydrofluoride
CID 174742552
sodium perfluoroheptanesulfonate
CID 87558139
methanol;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid
CID 144756171
gallane;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonic acid
CID 173196655

Frequently Asked Questions

What is the IUPAC name of potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride?
The IUPAC name of potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride (CID 173109555) is potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride.
What is the SMILES notation for potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride?
The canonical SMILES for potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride is O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)O.[H-].[K+].
What is the InChIKey of potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride?
The InChIKey is PQONWACJJPPXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F6O6S2.K.H/c4-1(5,2(6,7)16(10,11)12)3(8,9)17(13,14)15;;/h(H,10,11,12)(H,13,14,15);;/q;+1;-1.
What are the key properties of potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride?
potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride has a molecular weight of 352.27 g/mol, XLogP of -2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;1,1,2,2,3,3-hexafluoropropane-1,3-disulfonic acid;hydride is sourced from PubChem (CID 173109555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).