2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctan-1-amine--hydrogen chloride (1/1) (CED0186631)

Record Information
Version1.0
Creation Date2026-04-06 06:57:10 UTC
Update Date2026-05-21 07:15:16 UTC
SynCED IDCED0186631
Secondary Accession Numbers
  • CHEM119528
Identification
Common Name2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctan-1-amine--hydrogen chloride (1/1)
ClassSmall Molecule
Description
2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctan-1-amine--hydrogen chloride (1/1) belongs to the organofluorides, a class of organohalogen compounds within the organic compounds. This compound has the chemical formula C8H5ClF15N and an average molecular weight of 435.56 g/mol. The substance is found in or released from 13 recorded sources across several sectors. In 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. It is present in textiles, leather and furnishings, specifically within synthetic textiles as well as carpets and rugs. Within the food, food processing and cookware sector, it is found in food packaging, while in the healthcare, pharmaceuticals and veterinary products sector, it is associated with medical devices. Additionally, the compound is used as lubricants in the energy, oil and gas sector, as well as in industrial manufacturing and chemical processing. It is also linked to one additional sector. Recorded exposure routes for this compound include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC8H5ClF15N
Average Molecular Mass435.560 g/mol
Monoisotopic Mass434.987 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESCl.NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C8H4F15N.ClH/c9-2(10,1-24)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h1,24H2;1H
InChI KeyYFCHWDBOGIPKCK-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
2763.0 Log mg/kg [1600:4900]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
Acetylpolyamine amidohydrolase structureClick to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)
Prediction Confidence Score
0.184
Applicability Domain
0.184 Low confidence
Statistical Significance
0.0021
Supporting Reference Compounds
1
E-value
16.4262
Click to view 3D structureOrnithine decarboxylaseP09057Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.159
Applicability Domain
0.267 Low confidence
Statistical Significance
3.00e-05
Supporting Reference Compounds
3
E-value
0.233548
Diamine oxidase [copper-containing] structureClick to view 3D structureDiamine oxidase [copper-containing]P19801HumansPredicted (SEA)
Prediction Confidence Score
0.137
Applicability Domain
0.267 Low confidence
Statistical Significance
0.0742
Supporting Reference Compounds
11
E-value
577.486
Carbonic anhydrase 9 structureClick to view 3D structureCarbonic anhydrase 9Q16790HumansPredicted (SEA)
Prediction Confidence Score
0.137
Applicability Domain
0.212 Low confidence
Statistical Significance
0.9869
Supporting Reference Compounds
372
E-value
7683.02
Click to view 3D structureVoltage-gated potassium channel KCNC1P25122Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.136
Applicability Domain
0.136 Low confidence
Statistical Significance
0.1037
Supporting Reference Compounds
1
E-value
807.452
Carbonic anhydrase 4 structureClick to view 3D structureCarbonic anhydrase 4P22748HumansPredicted (SEA)
Prediction Confidence Score
0.136
Applicability Domain
0.212 Low confidence
Statistical Significance
0.9692
Supporting Reference Compounds
193
E-value
7545.15
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.131
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9958
Supporting Reference Compounds
472
E-value
7752.54
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.131
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9933
Supporting Reference Compounds
407
E-value
7732.76
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9897
Supporting Reference Compounds
242
E-value
7704.5
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.126
Applicability Domain
0.163 Low confidence
Statistical Significance
0.9989
Supporting Reference Compounds
823
E-value
7776.44
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)
Prediction Confidence Score
0.126
Applicability Domain
0.163 Low confidence
Statistical Significance
0.9991
Supporting Reference Compounds
955
E-value
7778.23
Amine oxidase [flavin-containing] B structureClick to view 3D structureAmine oxidase [flavin-containing] BP27338HumansPredicted (SEA)
Prediction Confidence Score
0.124
Applicability Domain
0.136 Low confidence
Statistical Significance
0.9935
Supporting Reference Compounds
315
E-value
7734.32
Amine oxidase [flavin-containing] A structureClick to view 3D structureAmine oxidase [flavin-containing] AP21397HumansPredicted (SEA)
Prediction Confidence Score
0.12
Applicability Domain
0.136 Low confidence
Statistical Significance
0.9964
Supporting Reference Compounds
241
E-value
7756.74
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.12
Applicability Domain
0.128 Low confidence
Statistical Significance
0.8925
Supporting Reference Compounds
55
E-value
6948.35
Click to view 3D structureCarbonic anhydrase 5A, mitochondrialP35218HumansPredicted (SEA)
Prediction Confidence Score
0.118
Applicability Domain
0.136 Low confidence
Statistical Significance
0.9935
Supporting Reference Compounds
165
E-value
7734.01
Click to view 3D structureTyR1H9TVJ1Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.118
Applicability Domain
0.118 Low confidence
Statistical Significance
0.0881
Supporting Reference Compounds
1
E-value
686.241
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)
Prediction Confidence Score
0.117
Applicability Domain
0.163 Low confidence
Statistical Significance
0.9994
Supporting Reference Compounds
487
E-value
7780.48
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.116
Applicability Domain
0.128 Low confidence
Statistical Significance
0.0597
Supporting Reference Compounds
6
E-value
465.149
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.116
Applicability Domain
0.169 Low confidence
Statistical Significance
0.9976
Supporting Reference Compounds
201
E-value
7766.32
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)
Prediction Confidence Score
0.116
Applicability Domain
0.163 Low confidence
Statistical Significance
0.9995
Supporting Reference Compounds
686
E-value
7780.95
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.116
Applicability Domain
0.128 Low confidence
Statistical Significance
0.6883
Supporting Reference Compounds
20
E-value
5358.67
Click to view 3D structureUtrophinE9Q6R7Mus musculusPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.115 Low confidence
Statistical Significance
0.7563
Supporting Reference Compounds
1
E-value
5887.74
Carbonic anhydrase 6 structureClick to view 3D structureCarbonic anhydrase 6P23280HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.136 Low confidence
Statistical Significance
0.9954
Supporting Reference Compounds
151
E-value
7748.8
Carbonic anhydrase 14 structureClick to view 3D structureCarbonic anhydrase 14Q9ULX7HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.136 Low confidence
Statistical Significance
0.9942
Supporting Reference Compounds
172
E-value
7739.93
Click to view 3D structureCarbonic anhydrase 5B, mitochondrialQ9Y2D0HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.136 Low confidence
Statistical Significance
0.9943
Supporting Reference Compounds
157
E-value
7740.47
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available