(1E)-2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylethyl)butan-1-imine (CED0126012)

Record Information
Version1.0
Creation Date2026-04-06 05:28:44 UTC
Update Date2026-05-21 03:51:33 UTC
SynCED IDCED0126012
Secondary Accession Numbers
  • CHEM118120
Identification
Common Name(1E)-2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylethyl)butan-1-imine
ClassSmall Molecule
Description
(1E)-2,2,3,3,4,4,4-Heptafluoro-N-(2-phenylethyl)butan-1-imine belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. This compound has the chemical formula C12H10F7N and an average molecular weight of 301.21 g/mol. The substance is found in or released from 13 recorded sources across multiple sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. In the textiles, leather and furnishings sector, it is linked to carpets, rugs, and synthetic textiles. Other recorded sources include medical devices from the healthcare, pharmaceuticals and veterinary products sector, food packaging from the food, food processing and cookware sector, and lubricants from both the energy, oil and gas sector as well as the industrial manufacturing and chemical processing sector. Additionally, it is found in one more sector. Recorded exposure routes for this compound include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC12H10F7N
Average Molecular Mass301.208 g/mol
Monoisotopic Mass301.070 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)(F)C(F)(F)C(F)(F)C=NCCC1=CC=CC=C1
InChI IdentifierInChI=1S/C12H10F7N/c13-10(14,11(15,16)12(17,18)19)8-20-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b20-8+
InChI KeyZMEUDXSOKSBVSN-DNTJNYDQSA-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
456.0 Log mg/kg [260:810]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
Trace amine-associated receptor 1 structureClick to view 3D structureTrace amine-associated receptor 1Q96RJ0HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.324
Statistical Significance
0.0116
Supporting Reference Compounds
63
E-value
90.4608
Glucose-6-phosphatase catalytic subunit 1 structureClick to view 3D structureGlucose-6-phosphatase catalytic subunit 1P35575HumansPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.262 Low confidence
Statistical Significance
2.90e-04
Supporting Reference Compounds
1
E-value
2.25763
Cytochrome P450 2A6 structureClick to view 3D structureCytochrome P450 2A6P11509HumansPredicted (SEA)
Prediction Confidence Score
0.26
Applicability Domain
0.378
Statistical Significance
0.0052
Supporting Reference Compounds
68
E-value
40.793
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP14842Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.324
Statistical Significance
0.1279
Supporting Reference Compounds
380
E-value
995.925
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.252
Applicability Domain
0.268 Low confidence
Statistical Significance
0.0752
Supporting Reference Compounds
207
E-value
585.426
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.264 Low confidence
Statistical Significance
0.1505
Supporting Reference Compounds
407
E-value
1171.94
Click to view 3D structureSigma non-opioid intracellular receptor 1Q60492Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.247
Applicability Domain
0.268 Low confidence
Statistical Significance
0.1264
Supporting Reference Compounds
229
E-value
984.248
Transient receptor potential cation channel subfamily A member 1 structureClick to view 3D structureTransient receptor potential cation channel subfamily A member 1O75762HumansPredicted (SEA)
Prediction Confidence Score
0.246
Applicability Domain
0.378
Statistical Significance
0.0134
Supporting Reference Compounds
70
E-value
104.24
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)
Prediction Confidence Score
0.245
Applicability Domain
0.268 Low confidence
Statistical Significance
0.2495
Supporting Reference Compounds
562
E-value
1942.34
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)
Prediction Confidence Score
0.244
Applicability Domain
0.268 Low confidence
Statistical Significance
0.3511
Supporting Reference Compounds
1103
E-value
2733.6
Macrophage migration inhibitory factor structureClick to view 3D structureMacrophage migration inhibitory factorP14174HumansPredicted (SEA)
Prediction Confidence Score
0.24
Applicability Domain
0.378
Statistical Significance
0.0053
Supporting Reference Compounds
36
E-value
41.0265
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.244 Low confidence
Statistical Significance
0.1387
Supporting Reference Compounds
297
E-value
1079.77
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.239
Applicability Domain
0.264 Low confidence
Statistical Significance
0.2261
Supporting Reference Compounds
472
E-value
1760.56
Click to view 3D structureSynaptic vesicular amine transporterQ01827Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.237
Applicability Domain
0.244 Low confidence
Statistical Significance
0.0128
Supporting Reference Compounds
18
E-value
99.3356
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.234
Applicability Domain
0.244 Low confidence
Statistical Significance
0.11
Supporting Reference Compounds
203
E-value
856.341
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.233
Applicability Domain
0.297 Low confidence
Statistical Significance
0.3011
Supporting Reference Compounds
541
E-value
2344.2
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.232
Applicability Domain
0.263 Low confidence
Statistical Significance
0.1047
Supporting Reference Compounds
102
E-value
814.77
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP08909RatPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.244 Low confidence
Statistical Significance
0.1571
Supporting Reference Compounds
185
E-value
1223.24
Glutamate receptor ionotropic, NMDA 2B structureClick to view 3D structureGlutamate receptor ionotropic, NMDA 2BQ13224HumansPredicted (SEA)
Prediction Confidence Score
0.231
Applicability Domain
0.239 Low confidence
Statistical Significance
0.0595
Supporting Reference Compounds
54
E-value
463.592
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.25 Low confidence
Statistical Significance
0.4619
Supporting Reference Compounds
861
E-value
3595.86
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.234 Low confidence
Statistical Significance
0.3109
Supporting Reference Compounds
528
E-value
2420.1
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.297 Low confidence
Statistical Significance
0.2574
Supporting Reference Compounds
315
E-value
2003.53
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.25 Low confidence
Statistical Significance
0.3864
Supporting Reference Compounds
506
E-value
3007.78
Click to view 3D structureD(1A) dopamine receptorP18901Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.228
Applicability Domain
0.234 Low confidence
Statistical Significance
0.1512
Supporting Reference Compounds
206
E-value
1177.24
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)
Prediction Confidence Score
0.227
Applicability Domain
0.244 Low confidence
Statistical Significance
0.3378
Supporting Reference Compounds
406
E-value
2630.06
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available