2,2,3,3,4,4,4-Heptafluoro-N-heptan-2-ylbutanamide (CED0192318)

Record Information
Version1.0
Creation Date2026-04-06 06:45:25 UTC
Update Date2026-08-18 11:28:49 UTC
SynCED IDCED0192318
Secondary Accession Numbers
  • CHEM119284
Identification
Common Name2,2,3,3,4,4,4-Heptafluoro-N-heptan-2-ylbutanamide
ClassSmall Molecule
Description
2,2,3,3,4,4,4-Heptafluoro-N-heptan-2-ylbutanamide is an organic compound with the chemical formula C11H16F7NO and an average molecular weight of 311.24 g/mol. 2,2,3,3,4,4,4-Heptafluoro-N-heptan-2-ylbutanamide belongs to the alkyl fluorides, a subclass of alkyl halides 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 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 in synthetic textiles and carpets and rugs. In the food, food processing and cookware sector, it is found in food packaging, while in healthcare, pharmaceuticals and veterinary products, it is linked to medical devices. Additionally, the compound is utilized as lubricants in both the energy, oil and gas sector and in industrial manufacturing and chemical processing. One other sector is also recorded as a source. Human exposure to this compound occurs through inhalation, oral, and touch routes.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC11H16F7NO
Average Molecular Mass311.244 g/mol
Monoisotopic Mass311.112 g/mol
CAS Registry Number61578-74-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCC(C)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C11H16F7NO/c1-3-4-5-6-7(2)19-8(20)9(12,13)10(14,15)11(16,17)18/h7H,3-6H2,1-2H3,(H,19,20)
InChI KeyPFQQFKZQVVSAND-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
1452.0 Log mg/kg [820:2600]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
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.333
Statistical Significance
0.0019
Supporting Reference Compounds
55
E-value
14.8692
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.314
Applicability Domain
0.333
Statistical Significance
2.80e-04
Supporting Reference Compounds
2
E-value
2.17978
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.312
Applicability Domain
0.333
Statistical Significance
6.50e-04
Supporting Reference Compounds
40
E-value
5.0602
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.311
Applicability Domain
0.333
Statistical Significance
0.0114
Supporting Reference Compounds
106
E-value
88.9038
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.309
Applicability Domain
0.333
Statistical Significance
3.50e-04
Supporting Reference Compounds
20
E-value
2.72472
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.307
Applicability Domain
0.333
Statistical Significance
2.50e-04
Supporting Reference Compounds
4
E-value
1.94623
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.318
Statistical Significance
1.10e-04
Supporting Reference Compounds
6
E-value
0.856341
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.299
Applicability Domain
0.302
Statistical Significance
1.90e-04
Supporting Reference Compounds
2
E-value
1.47914
Click to view 3D structureAlkaline ceramidase 2Q5QJU3HumansPredicted (SEA)
Prediction Confidence Score
0.294
Applicability Domain
0.294 Low confidence
Statistical Significance
0.0027
Supporting Reference Compounds
1
E-value
21.175
Click to view 3D structureUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligaseQ5HMD9Staphylococcus epidermidis (strain ATCC 35984 / RP62A)Predicted (SEA)
Prediction Confidence Score
0.286
Applicability Domain
0.286 Low confidence
Statistical Significance
5.90e-04
Supporting Reference Compounds
1
E-value
4.5931
Click to view 3D structureCannabinoid receptor 1P20272Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.28
Applicability Domain
0.308
Statistical Significance
0.0093
Supporting Reference Compounds
83
E-value
72.1662
Click to view 3D structurePalmitoyltransferase ZDHHC7Q9NXF8HumansPredicted (SEA)
Prediction Confidence Score
0.275
Applicability Domain
0.275 Low confidence
Statistical Significance
2.00e-04
Supporting Reference Compounds
1
E-value
1.55698
Cathepsin G structureClick to view 3D structureCathepsin GP08311HumansPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.333
Statistical Significance
0.0157
Supporting Reference Compounds
55
E-value
122.535
Chymotrypsin-like elastase family member 2A structureClick to view 3D structureChymotrypsin-like elastase family member 2AP08419Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.333
Statistical Significance
0.0058
Supporting Reference Compounds
23
E-value
45.0747
Click to view 3D structurePutative inactive group IIC secretory phospholipase A2Q5R387HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.269 Low confidence
Statistical Significance
9.50e-04
Supporting Reference Compounds
1
E-value
7.39568
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.333
Statistical Significance
0.0273
Supporting Reference Compounds
102
E-value
212.684
Click to view 3D structureCannabinoid receptor 2P47936Mus musculusPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.3
Statistical Significance
0.0084
Supporting Reference Compounds
39
E-value
65.1598
Click to view 3D structureCAI-1 autoinducer sensor kinase/phosphatase CqsSQ9KM66Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)Predicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.262 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
1
E-value
9.6533
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.325
Statistical Significance
0.0314
Supporting Reference Compounds
89
E-value
244.135
All-trans-retinol dehydrogenase [NAD(+)] ADH7 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH7P40394HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.256 Low confidence
Statistical Significance
9.50e-04
Supporting Reference Compounds
1
E-value
7.39568
Click to view 3D structureCannabinoid receptor 1P47746Mus musculusPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.308
Statistical Significance
0.0073
Supporting Reference Compounds
42
E-value
56.6742
Phospholipase A2, membrane associated structureClick to view 3D structurePhospholipase A2, membrane associatedP14555HumansPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.298 Low confidence
Statistical Significance
0.008
Supporting Reference Compounds
49
E-value
62.0458
Chymotrypsinogen B structureClick to view 3D structureChymotrypsinogen BP00767Bos taurusPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.26 Low confidence
Statistical Significance
0.0058
Supporting Reference Compounds
6
E-value
45.1525
Cannabinoid receptor 2 structureClick to view 3D structureCannabinoid receptor 2P34972HumansPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.3
Statistical Significance
0.0734
Supporting Reference Compounds
175
E-value
571.491
Transient receptor potential cation channel subfamily V member 2 structureClick to view 3D structureTransient receptor potential cation channel subfamily V member 2Q9WUD2Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.251
Applicability Domain
0.263 Low confidence
Statistical Significance
0.0049
Supporting Reference Compounds
21
E-value
38.1461
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available