Cyclobutane, 1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)- (CED0186165)

Record Information
Version1.0
Creation Date2026-04-06 06:57:07 UTC
Update Date2026-05-21 07:15:12 UTC
SynCED IDCED0186165
Secondary Accession Numbers
  • CHEM119527
Identification
Common NameCyclobutane, 1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)-
ClassSmall Molecule
Description
Cyclobutane, 1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)- is an organic compound with the chemical formula C6F12 and an average molecular weight of 300.05 g/mol. Cyclobutane, 1,1,2,3,3,4-hexafluoro-2,4-bis(trifluoromethyl)- belongs to the organofluorides, a class of organohalogen compounds within the organic compounds. The substance is associated with 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is found in or released from cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also present in textiles, leather and furnishings, specifically within carpets, rugs, and synthetic textiles. Within the healthcare, pharmaceuticals and veterinary products sector, it is linked to medical devices, while in food, food processing and cookware, it is found in food packaging. Additionally, the compound is utilized as a lubricant within the energy, oil and gas sector as well as in industrial manufacturing and chemical processing. One other sector is also recorded as a source. Human exposure to the compound may occur through inhalation, oral ingestion, or touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC6F12
Average Molecular Mass300.047 g/mol
Monoisotopic Mass299.981 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)(F)C1(F)C(F)(F)C(F)(C(F)(F)F)C1(F)F
InChI IdentifierInChI=1S/C6F12/c7-1(5(13,14)15)3(9,10)2(8,4(1,11)12)6(16,17)18
InChI KeyWEQYAFSPIONP-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
680.0 Log mg/kg [380:1200]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
Click to view 3D structureANK_REP_REGION domain-containing proteinH0VJD1Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.125
Applicability Domain
0.125 Low confidence
Statistical Significance
0.2451
Supporting Reference Compounds
1
E-value
1908.47
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.113
Applicability Domain
0.158 Low confidence
Statistical Significance
0.9994
Supporting Reference Compounds
472
E-value
7780.41
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.111
Applicability Domain
0.158 Low confidence
Statistical Significance
0.9994
Supporting Reference Compounds
407
E-value
7780.17
Receptor-type tyrosine-protein phosphatase zeta structureClick to view 3D structureReceptor-type tyrosine-protein phosphatase zetaP23471HumansPredicted (SEA)
Prediction Confidence Score
0.108
Applicability Domain
0.133 Low confidence
Statistical Significance
0.1856
Supporting Reference Compounds
2
E-value
1444.8
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.104
Applicability Domain
0.158 Low confidence
Statistical Significance
0.9992
Supporting Reference Compounds
242
E-value
7778.38
Envelope phospholipase OPG057 structureClick to view 3D structureEnvelope phospholipase OPG057P04021Vaccinia virus (strain Western Reserve) (VACV) (Vaccinia virus (strainWR))Predicted (SEA)
Prediction Confidence Score
0.103
Applicability Domain
0.103 Low confidence
Statistical Significance
0.5225
Supporting Reference Compounds
1
E-value
4067.7
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.125 Low confidence
Statistical Significance
0.9992
Supporting Reference Compounds
165
E-value
7778.62
Phosphoglycerate kinase structureClick to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.1 Low confidence
Statistical Significance
0.0431
Supporting Reference Compounds
1
E-value
335.686
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.1
Applicability Domain
0.125 Low confidence
Statistical Significance
0.9998
Supporting Reference Compounds
372
E-value
7783.52
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.096
Applicability Domain
0.103 Low confidence
Statistical Significance
0.1324
Supporting Reference Compounds
2
E-value
1030.65
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.095
Applicability Domain
0.103 Low confidence
Statistical Significance
0.9886
Supporting Reference Compounds
55
E-value
7696.33
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.095
Applicability Domain
0.103 Low confidence
Statistical Significance
0.9907
Supporting Reference Compounds
40
E-value
7712.76
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.094
Applicability Domain
0.103 Low confidence
Statistical Significance
0.9992
Supporting Reference Compounds
106
E-value
7778.54
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.093
Applicability Domain
0.103 Low confidence
Statistical Significance
0.903
Supporting Reference Compounds
20
E-value
7029.86
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.093
Applicability Domain
0.103 Low confidence
Statistical Significance
0.1741
Supporting Reference Compounds
4
E-value
1355.74
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.092
Applicability Domain
0.125 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
506
E-value
7784.38
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.091
Applicability Domain
0.125 Low confidence
Statistical Significance
0.9998
Supporting Reference Compounds
201
E-value
7783.44
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.091
Applicability Domain
0.102 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
1245
E-value
7784.14
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)
Prediction Confidence Score
0.091
Applicability Domain
0.091 Low confidence
Statistical Significance
0.3102
Supporting Reference Compounds
1
E-value
2414.88
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.091
Applicability Domain
0.125 Low confidence
Statistical Significance
0.9998
Supporting Reference Compounds
193
E-value
7783.68
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.09
Applicability Domain
0.091 Low confidence
Statistical Significance
0.2081
Supporting Reference Compounds
2
E-value
1619.73
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.087
Applicability Domain
0.105 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
1498
E-value
7784.38
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.087
Applicability Domain
0.125 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
955
E-value
7784.46
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.087
Applicability Domain
0.088 Low confidence
Statistical Significance
0.2637
Supporting Reference Compounds
6
E-value
2052.81
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.086
Applicability Domain
0.086 Low confidence
Statistical Significance
0.1998
Supporting Reference Compounds
1
E-value
1555.66
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available