potassium 1,8,8,8-tetrafluorooctane-1-sulfonate

C8H13F4KO3S — CID 141491902

IUPACpotassium 1,8,8,8-tetrafluorooctane-1-sulfonate
SMILESO=S(=O)([O-])C(F)CCCCCCC(F)(F)F.[K+]
InChIInChI=1S/C8H14F4O3S.K/c9-7(16(13,14)15)5-3-1-2-4-6-8(10,11)12;/h7H,1-6H2,(H,13,14,15);/q;+1/p-1
InChIKeyKTZYZHAQQIIMAX-UHFFFAOYSA-M
MW304.35 g/mol
LogP-0.27
Rot. Bonds7

About potassium 1,8,8,8-tetrafluorooctane-1-sulfonate

potassium 1,8,8,8-tetrafluorooctane-1-sulfonate (PubChem CID 141491902) has the molecular formula C8H13F4KO3S and a molecular weight of 304.35 g/mol. Its IUPAC name is potassium 1,8,8,8-tetrafluorooctane-1-sulfonate.

Molecular Properties

Compound Namepotassium 1,8,8,8-tetrafluorooctane-1-sulfonate
PubChem CID141491902
Molecular FormulaC8H13F4KO3S
Molecular Weight304.35 g/mol
Exact Mass304.02
IUPAC Namepotassium 1,8,8,8-tetrafluorooctane-1-sulfonate
SMILESO=S(=O)([O-])C(F)CCCCCCC(F)(F)F.[K+]
InChIInChI=1S/C8H14F4O3S.K/c9-7(16(13,14)15)5-3-1-2-4-6-8(10,11)12;/h7H,1-6H2,(H,13,14,15);/q;+1/p-1
InChIKeyKTZYZHAQQIIMAX-UHFFFAOYSA-M
XLogP-0.27
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492118
dimethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141492373
azanium 1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492353
tetraethylazanium;1,8,8,8-tetrafluorooctane-1-sulfonate
CID 141492364
tetraethylazanium;1,10,10,10-tetrafluorodecane-1-sulfonate
CID 141491935
tetraethylazanium;1,11,11,11-tetrafluoroundecane-1-sulfonate
CID 141492644
dimethylazanium;1,5,5,5-tetrafluoropentane-1-sulfonate
CID 141492076
1,7,7,7-tetrafluoroheptane-1-sulfonic acid
CID 141491980
potassium 1,1,2,9,9,9-hexafluorononane-1-sulfonate
CID 141492670
lithium 1,1,2,12,12,12-hexafluorododecane-1-sulfonate
CID 141492430
lithium 1,1,2,2,3,9,9,9-octafluorononane-1-sulfonate
CID 141492125
lithium 1,1,2,2,3,3,4,4,5,11,11,11-dodecafluoroundecane-1-sulfonate
CID 141492467

Frequently Asked Questions

What is the IUPAC name of potassium 1,8,8,8-tetrafluorooctane-1-sulfonate?
The IUPAC name of potassium 1,8,8,8-tetrafluorooctane-1-sulfonate (CID 141491902) is potassium 1,8,8,8-tetrafluorooctane-1-sulfonate.
What is the SMILES notation for potassium 1,8,8,8-tetrafluorooctane-1-sulfonate?
The canonical SMILES for potassium 1,8,8,8-tetrafluorooctane-1-sulfonate is O=S(=O)([O-])C(F)CCCCCCC(F)(F)F.[K+].
What is the InChIKey of potassium 1,8,8,8-tetrafluorooctane-1-sulfonate?
The InChIKey is KTZYZHAQQIIMAX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14F4O3S.K/c9-7(16(13,14)15)5-3-1-2-4-6-8(10,11)12;/h7H,1-6H2,(H,13,14,15);/q;+1/p-1.
What are the key properties of potassium 1,8,8,8-tetrafluorooctane-1-sulfonate?
potassium 1,8,8,8-tetrafluorooctane-1-sulfonate has a molecular weight of 304.35 g/mol, XLogP of -0.27, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 1,8,8,8-tetrafluorooctane-1-sulfonate is sourced from PubChem (CID 141491902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).