1,1,2,2,3,3,4,4-Octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide (CED0192339)

Record Information
Version1.0
Creation Date2026-03-31 20:01:42 UTC
Update Date2026-08-24 09:36:36 UTC
SynCED IDCED0192339
Secondary Accession Numbers
  • CHEM057588
Identification
Common Name1,1,2,2,3,3,4,4-Octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide
ClassSmall Molecule
Description
1,1,2,2,3,3,4,4-Octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide is an organic compound with the chemical formula C7H9F8N1O3S1 and an average molecular weight of 339.20 g/mol. 1,1,2,2,3,3,4,4-Octafluoro-N-(2-hydroxyethyl)-N-methylbutane-1-sulphonamide belongs to the organosulfonic acids and derivatives, a subclass of organic sulfonic acids and derivatives within the organic compounds. This substance is found in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with capacitors, cell phones, batteries, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is used as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one other sector. Recorded exposure routes for this compound include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC7H9F8N1O3S1
Average Molecular Mass339.200 g/mol
Monoisotopic Mass339.018 g/mol
CAS Registry Number93894-53-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChI IdentifierInChI=1S/C7H9F8NO3S/c1-16(2-3-17)20(18,19)7(14,15)6(12,13)5(10,11)4(8)9/h4,17H,2-3H2,1H3
InChI KeyHVRZEMISTDPHLI-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
963.0 Log mg/kg [540:1700]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed 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 EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?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 EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets 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 & furnishingsNot Available
CEDs000454Synthetic 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 & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.281 Low confidence
Statistical Significance
0.4395
Supporting Reference Compounds
176
E-value
3421.24
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.194
Applicability Domain
0.281 Low confidence
Statistical Significance
0.584
Supporting Reference Compounds
258
E-value
4546.08
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.281 Low confidence
Statistical Significance
0.6658
Supporting Reference Compounds
472
E-value
5182.89
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.192
Applicability Domain
0.281 Low confidence
Statistical Significance
0.6121
Supporting Reference Compounds
407
E-value
4765.15
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.187
Applicability Domain
0.281 Low confidence
Statistical Significance
0.7558
Supporting Reference Compounds
400
E-value
5884.0
Click to view 3D structureOrganic anion transporter 3O88909Mus musculusPredicted (SEA)
Prediction Confidence Score
0.18
Applicability Domain
0.18 Low confidence
Statistical Significance
0.0389
Supporting Reference Compounds
1
E-value
303.223
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.204 Low confidence
Statistical Significance
0.5162
Supporting Reference Compounds
76
E-value
4018.27
Oxysterols receptor LXR-beta structureClick to view 3D structureOxysterols receptor LXR-betaP55055HumansPredicted (SEA)
Prediction Confidence Score
0.178
Applicability Domain
0.204 Low confidence
Statistical Significance
0.4675
Supporting Reference Compounds
65
E-value
3639.68
Click to view 3D structureCarbonic anhydrase 4Q95323Bos taurusPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.281 Low confidence
Statistical Significance
0.2538
Supporting Reference Compounds
64
E-value
1975.97
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.281 Low confidence
Statistical Significance
0.8334
Supporting Reference Compounds
292
E-value
6488.34
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.188 Low confidence
Statistical Significance
0.315
Supporting Reference Compounds
55
E-value
2452.33
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.18 Low confidence
Statistical Significance
0.8511
Supporting Reference Compounds
372
E-value
6625.59
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.188 Low confidence
Statistical Significance
0.0064
Supporting Reference Compounds
6
E-value
49.59
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.193 Low confidence
Statistical Significance
0.883
Supporting Reference Compounds
269
E-value
6874.01
Carbonic anhydrase 12 structureClick to view 3D structureCarbonic anhydrase 12O43570HumansPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.18 Low confidence
Statistical Significance
0.849
Supporting Reference Compounds
332
E-value
6609.55
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.22 Low confidence
Statistical Significance
0.9726
Supporting Reference Compounds
553
E-value
7571.77
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.173 Low confidence
Statistical Significance
0.9901
Supporting Reference Compounds
1130
E-value
7707.54
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.218 Low confidence
Statistical Significance
0.7976
Supporting Reference Compounds
117
E-value
6209.57
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.188 Low confidence
Statistical Significance
0.1403
Supporting Reference Compounds
20
E-value
1092.38
Click to view 3D structureSodium- and chloride-dependent creatine transporter 1P48029HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.163 Low confidence
Statistical Significance
0.0032
Supporting Reference Compounds
1
E-value
24.9896
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.173 Low confidence
Statistical Significance
0.9949
Supporting Reference Compounds
1538
E-value
7744.91
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.188 Low confidence
Statistical Significance
0.9221
Supporting Reference Compounds
380
E-value
7178.55
5-hydroxytryptamine receptor 1B structureClick to view 3D structure5-hydroxytryptamine receptor 1BP28222HumansPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.175 Low confidence
Statistical Significance
0.9535
Supporting Reference Compounds
337
E-value
7422.92
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)
Prediction Confidence Score
0.161
Applicability Domain
0.196 Low confidence
Statistical Significance
0.9067
Supporting Reference Compounds
146
E-value
7058.98
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)
Prediction Confidence Score
0.161
Applicability Domain
0.179 Low confidence
Statistical Significance
0.8743
Supporting Reference Compounds
167
E-value
6806.36
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available