potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate

C7H9F6KO3S — CID 122481336

IUPACpotassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C7H10F6O3S.K/c1-2-3-4-5(8,9)6(10,11)7(12,13)17(14,15)16;/h2-4H2,1H3,(H,14,15,16);/q;+1/p-1
InChIKeyBPNZZDNSBFUTSV-UHFFFAOYSA-M
MW326.30 g/mol
LogP-0.41
Rot. Bonds6

About potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate

potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate (PubChem CID 122481336) has the molecular formula C7H9F6KO3S and a molecular weight of 326.30 g/mol. Its IUPAC name is potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate
PubChem CID122481336
Molecular FormulaC7H9F6KO3S
Molecular Weight326.30 g/mol
Exact Mass325.98
IUPAC Namepotassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate
SMILESCCCCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+]
InChIInChI=1S/C7H10F6O3S.K/c1-2-3-4-5(8,9)6(10,11)7(12,13)17(14,15)16;/h2-4H2,1H3,(H,14,15,16);/q;+1/p-1
InChIKeyBPNZZDNSBFUTSV-UHFFFAOYSA-M
XLogP-0.41
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-hexafluoroheptane-1-sulfonate;tetraethylazanium
CID 122481488
sodium 1,1,2,2-tetrafluorohexane-1-sulfonate
CID 122481287
1,1,2,2,3,3-hexafluoroundecane-1-sulfonate;tetraethylazanium
CID 122481434
potassium 1,1,2,2,3,3,4,4,5,5-decafluorooctane-1-sulfonate
CID 122480837
azanium 1,1,2,2,3,3,8,8,8-nonafluorooctane-1-sulfonate
CID 141492323
azanium 1,1,2,2,3,3,11,11,11-nonafluoroundecane-1-sulfonate
CID 141491973
dimethylazanium;1,1,2,2,3,3,10,10,10-nonafluorodecane-1-sulfonate
CID 141492551
potassium 1,1,2,2-tetrafluoropentane-1-sulfonate
CID 122481459
potassium 5-chloro-1,1,2,2,3,3-hexafluoroundecane-1-sulfonate
CID 23676035
potassium 1,1,2,2,3,3,4-heptafluorobutane-1-sulfonate
CID 122482027
lithium 1,1,2,2-tetrafluoropentane-1-sulfonate
CID 122481559
dimethylazanium;1,1,2,2,3,3,4,4,5,5,10,10,10-tridecafluorodecane-1-sulfonate
CID 141491998

Frequently Asked Questions

What is the IUPAC name of potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate?
The IUPAC name of potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate (CID 122481336) is potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate.
What is the SMILES notation for potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate?
The canonical SMILES for potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate is CCCCC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-].[K+].
What is the InChIKey of potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate?
The InChIKey is BPNZZDNSBFUTSV-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10F6O3S.K/c1-2-3-4-5(8,9)6(10,11)7(12,13)17(14,15)16;/h2-4H2,1H3,(H,14,15,16);/q;+1/p-1.
What are the key properties of potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate?
potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate has a molecular weight of 326.30 g/mol, XLogP of -0.41, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,1,2,2,3,3-hexafluoroheptane-1-sulfonate is sourced from PubChem (CID 122481336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).