potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid

C4H3F8KO3S — CID 173464040

IUPACpotassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)F.[H-].[K+]
InChIInChI=1S/C4H2F8O3S.K.H/c5-1(6)2(7,8)3(9,10)4(11,12)16(13,14)15;;/h1H,(H,13,14,15);;/q;+1;-1
InChIKeyLVPKDCJKXQARAQ-UHFFFAOYSA-N
MW322.21 g/mol
LogP-0.88
Rot. Bonds4

About potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid

potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid (PubChem CID 173464040) has the molecular formula C4H3F8KO3S and a molecular weight of 322.21 g/mol. Its IUPAC name is potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid.

Molecular Properties

Compound Namepotassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
PubChem CID173464040
Molecular FormulaC4H3F8KO3S
Molecular Weight322.21 g/mol
Exact Mass321.93
IUPAC Namepotassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)F.[H-].[K+]
InChIInChI=1S/C4H2F8O3S.K.H/c5-1(6)2(7,8)3(9,10)4(11,12)16(13,14)15;;/h1H,(H,13,14,15);;/q;+1;-1
InChIKeyLVPKDCJKXQARAQ-UHFFFAOYSA-N
XLogP-0.88
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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
1,1,2,2,3,3,4-heptafluoropentane-1-sulfonic acid
CID 122480790
2-(1,1,2,2,3,3,4,4,5,5-decafluoropentoxy)-1,1,2,2-tetrafluoroethanesulfonic acid
CID 139595509
1,1,2,2,3,3,4,5,6,7,7,7-dodecafluorohept-5-ene-1-sulfonic acid
CID 165362882
1,1,2,3,3,4,4,5,5,6,6-undecafluoro-1-hydroxyhexane-2-sulfonic acid
CID 19695004
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
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
potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7-tetradecafluoroheptane-1-sulfonate
CID 122481984
1,1,2,2,3,3,4-heptafluorononane-1-sulfonic acid
CID 122480823
1,1,2,2,3,3,4,4,5,5,6-undecafluorooctane-1-sulfonic acid
CID 122480896
1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;stibane
CID 173196652

Frequently Asked Questions

What is the IUPAC name of potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid?
The IUPAC name of potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid (CID 173464040) is potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid.
What is the SMILES notation for potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid?
The canonical SMILES for potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)F.[H-].[K+].
What is the InChIKey of potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid?
The InChIKey is LVPKDCJKXQARAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O3S.K.H/c5-1(6)2(7,8)3(9,10)4(11,12)16(13,14)15;;/h1H,(H,13,14,15);;/q;+1;-1.
What are the key properties of potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid?
potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid has a molecular weight of 322.21 g/mol, XLogP of -0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;hydride;1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid is sourced from PubChem (CID 173464040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).