Potassium perfluoromethylcyclohexanesulfonate (CED0000368)

Record Information

Version

1.0

Creation Date

2026-04-06 06:21:20 UTC

Update Date

2026-05-21 06:05:14 UTC

SynCED ID

CED0000368

Secondary Accession Numbers

CHEM118860

Identification

Common Name

Potassium perfluoromethylcyclohexanesulfonate

Class

Small Molecule

Description

Potassium perfluoromethylcyclohexanesulfonate is an organohalogen compound with the chemical formula C7F13KO3S and an average molecular weight of 450.21 g/mol. Potassium perfluoromethylcyclohexanesulfonate belongs to the cyclohexyl halides, a subclass of alkyl halides within the organic compounds. The compound is associated with 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among others. It is also present in textiles, leather and furnishings, specifically in synthetic textiles as well as carpets and rugs. Within the healthcare, pharmaceuticals and veterinary products sector, it is found in medical devices, while its presence in the food, food processing and cookware sector is noted in food packaging. Additionally, the compound is used as a lubricant in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector. It has been identified in two other sectors. Recorded routes of exposure for this compound include inhalation, oral ingestion, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇F₁₃KO₃S

Average Molecular Mass

450.210 g/mol

Monoisotopic Mass

449.900 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[K+].[O-]S(=O)(=O)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F

InChI Identifier

InChI=1S/C7HF13O3S.K/c8-2(9)1(7(18,19)20,24(21,22)23)3(10,11)5(14,15)6(16,17)4(2,12)13;/h(H,21,22,23);/q;+1/p-1

InChI Key

QWHNLWMMNRIUNZ-UHFFFAOYSA-M

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
223.0 Log mg/kg [130:400]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.18 Applicability Domain 0.24 Low confidence Statistical Significance 0.7977 Supporting Reference Compounds 472 E-value 6209.95
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.24 Low confidence Statistical Significance 0.8251 Supporting Reference Compounds 407 E-value 6423.26
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.24 Low confidence Statistical Significance 0.874 Supporting Reference Compounds 242 E-value 6804.26
Click to view 3D structure	Carbonic anhydrase 2	P00921	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.24 Low confidence Statistical Significance 0.1593 Supporting Reference Compounds 22 E-value 1240.14
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.171 Low confidence Statistical Significance 0.9539 Supporting Reference Compounds 372 E-value 7426.19
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.171 Low confidence Statistical Significance 0.8703 Supporting Reference Compounds 165 E-value 6775.53
Click to view 3D structure	Carbonic anhydrase 13	Q8N1Q1	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.24 Low confidence Statistical Significance 0.8086 Supporting Reference Compounds 92 E-value 6295.2
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.171 Low confidence Statistical Significance 0.5872 Supporting Reference Compounds 64 E-value 4571.07
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.16 Low confidence Statistical Significance 0.9984 Supporting Reference Compounds 1498 E-value 7772.47
Click to view 3D structure	Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial	P21912	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.152 Low confidence Statistical Significance 0.2246 Supporting Reference Compounds 3 E-value 1748.65
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.154 Low confidence Statistical Significance 0.9579 Supporting Reference Compounds 151 E-value 7457.1
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.154 Low confidence Statistical Significance 0.9737 Supporting Reference Compounds 193 E-value 7580.49
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.146 Low confidence Statistical Significance 0.9586 Supporting Reference Compounds 76 E-value 7462.7
Click to view 3D structure	Astrosclerin-3	A6YCJ1	Astrosclera willeyana	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.154 Low confidence Statistical Significance 0.4953 Supporting Reference Compounds 44 E-value 3855.56
Click to view 3D structure	Alpha carbonic anhydrase	B5SU02	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.154 Low confidence Statistical Significance 0.4666 Supporting Reference Compounds 43 E-value 3632.21
Click to view 3D structure	Carbonic anhydrase	C0IX24	Stylophora pistillata	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.154 Low confidence Statistical Significance 0.4663 Supporting Reference Compounds 41 E-value 3630.26
Click to view 3D structure	Carbonic anhydrase	P40881	Methanosarcina thermophila	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.154 Low confidence Statistical Significance 0.1772 Supporting Reference Compounds 22 E-value 1379.72
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.154 Low confidence Statistical Significance 0.9874 Supporting Reference Compounds 332 E-value 7687.22
Click to view 3D structure	Prostaglandin G/H synthase 2	P35354	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.16 Low confidence Statistical Significance 0.9886 Supporting Reference Compounds 201 E-value 7696.41
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.154 Low confidence Statistical Significance 0.8177 Supporting Reference Compounds 60 E-value 6365.73
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.154 Low confidence Statistical Significance 0.9631 Supporting Reference Compounds 172 E-value 7497.66
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.154 Low confidence Statistical Significance 0.8009 Supporting Reference Compounds 68 E-value 6235.1
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.171 Low confidence Statistical Significance 0.9911 Supporting Reference Compounds 292 E-value 7716.03
Click to view 3D structure	Oxysterols receptor LXR-beta	P55055	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.146 Low confidence Statistical Significance 0.9539 Supporting Reference Compounds 65 E-value 7426.43
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.171 Low confidence Statistical Significance 0.9895 Supporting Reference Compounds 258 E-value 7703.26