1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iodooctadecane (CED0189963)

Record Information
Version1.0
Creation Date2026-04-06 05:09:59 UTC
Update Date2026-08-20 00:21:41 UTC
SynCED IDCED0189963
Secondary Accession Numbers
  • CHEM117743
Identification
Common Name1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iodooctadecane
ClassSmall Molecule
Description
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iodooctadecane belongs to the organoiodides, a class of organohalogen compounds within the organic compounds. With an average molecular weight of 686.24 g/mol, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iodooctadecane is a heavy molecule. It is characterized by the chemical formula C18H20F17I. This compound is found in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with batteries, capacitors, printed circuit boards, wires and cables, and cell phones, among one other source. It is also present in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. In the healthcare, pharmaceuticals and veterinary products sector, it is found in medical devices, while in the food, food processing and cookware sector, it is associated with food packaging. Additionally, the compound is found in lubricants used within energy, oil and gas, as well as industrial manufacturing and chemical processing. One further sector is also recorded. Exposure to this substance can occur through oral, inhalation, and touch routes.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC18H20F17I
Average Molecular Mass686.235 g/mol
Monoisotopic Mass686.034 g/mol
CAS Registry Number176979-17-2
IUPAC NameNot Available
Traditional NameNot Available
SMILESCCCCCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1/C18H20F17I/c1-2-3-4-5-6-7-8-10(36)9-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h10H,2-9H2,1H3
InChI KeyPGTZMAVZAHEJCS-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
927.0 Log mg/kg [520:1600]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
0.272
Applicability Domain
0.282 Low confidence
Statistical Significance
0.006
Supporting Reference Compounds
55
E-value
46.6317
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.266
Applicability Domain
0.282 Low confidence
Statistical Significance
6.30e-04
Supporting Reference Compounds
2
E-value
4.9045
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.282 Low confidence
Statistical Significance
0.0027
Supporting Reference Compounds
40
E-value
21.175
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.263
Applicability Domain
0.282 Low confidence
Statistical Significance
0.0472
Supporting Reference Compounds
106
E-value
367.604
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.262
Applicability Domain
0.282 Low confidence
Statistical Significance
0.0012
Supporting Reference Compounds
20
E-value
9.41976
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.282 Low confidence
Statistical Significance
5.90e-04
Supporting Reference Compounds
4
E-value
4.5931
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.259
Applicability Domain
0.273 Low confidence
Statistical Significance
3.50e-04
Supporting Reference Compounds
6
E-value
2.72472
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.253
Applicability Domain
0.256 Low confidence
Statistical Significance
6.40e-04
Supporting Reference Compounds
2
E-value
4.98235
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
0.244
Applicability Domain
0.244 Low confidence
Statistical Significance
0.0021
Supporting Reference Compounds
1
E-value
16.0369
Peroxisome proliferator-activated receptor delta structureClick to view 3D structurePeroxisome proliferator-activated receptor deltaQ03181HumansPredicted (SEA)
Prediction Confidence Score
0.236
Applicability Domain
0.275 Low confidence
Statistical Significance
0.0862
Supporting Reference Compounds
89
E-value
670.827
Tyrosine-protein phosphatase non-receptor type 1 structureClick to view 3D structureTyrosine-protein phosphatase non-receptor type 1P18031HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.243 Low confidence
Statistical Significance
0.1149
Supporting Reference Compounds
197
E-value
894.488
Peroxisome proliferator-activated receptor alpha structureClick to view 3D structurePeroxisome proliferator-activated receptor alphaQ07869HumansPredicted (SEA)
Prediction Confidence Score
0.23
Applicability Domain
0.243 Low confidence
Statistical Significance
0.1574
Supporting Reference Compounds
127
E-value
1225.35
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.282 Low confidence
Statistical Significance
0.0565
Supporting Reference Compounds
46
E-value
440.082
Click to view 3D structurePhospholipase BQ9P8P2Cryptococcus neoformansPredicted (SEA)
Prediction Confidence Score
0.229
Applicability Domain
0.229 Low confidence
Statistical Significance
7.40e-04
Supporting Reference Compounds
1
E-value
5.76084
Click to view 3D structureSphingosine-1-phosphate lyase 1Q8CHN6Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.222
Applicability Domain
0.222 Low confidence
Statistical Significance
0.0011
Supporting Reference Compounds
1
E-value
8.48557
Click to view 3D structureUDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligaseQ5HMD9Staphylococcus epidermidis (strain ATCC 35984 / RP62A)Predicted (SEA)
Prediction Confidence Score
0.22
Applicability Domain
0.22 Low confidence
Statistical Significance
0.0028
Supporting Reference Compounds
1
E-value
21.4864
G-protein coupled receptor 84 structureClick to view 3D structureG-protein coupled receptor 84Q9NQS5HumansPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.243 Low confidence
Statistical Significance
0.0072
Supporting Reference Compounds
15
E-value
56.285
Peroxisome proliferator-activated receptor gamma structureClick to view 3D structurePeroxisome proliferator-activated receptor gammaP37231HumansPredicted (SEA)
Prediction Confidence Score
0.219
Applicability Domain
0.243 Low confidence
Statistical Significance
0.2988
Supporting Reference Compounds
192
E-value
2326.13
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.216
Applicability Domain
0.282 Low confidence
Statistical Significance
0.1918
Supporting Reference Compounds
102
E-value
1493.46
Geranylgeranyl pyrophosphate synthase structureClick to view 3D structureGeranylgeranyl pyrophosphate synthaseO95749HumansPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.214 Low confidence
Statistical Significance
0.0046
Supporting Reference Compounds
15
E-value
36.122
Click to view 3D structureFarnesyl pyrophosphate synthaseQ0GKD7Leishmania donovaniPredicted (SEA)
Prediction Confidence Score
0.213
Applicability Domain
0.214 Low confidence
Statistical Significance
0.0032
Supporting Reference Compounds
14
E-value
25.1453
Click to view 3D structurePalmitoyltransferase ZDHHC7Q9NXF8HumansPredicted (SEA)
Prediction Confidence Score
0.212
Applicability Domain
0.212 Low confidence
Statistical Significance
0.0028
Supporting Reference Compounds
1
E-value
22.0313
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
0.211
Applicability Domain
0.243 Low confidence
Statistical Significance
0.0125
Supporting Reference Compounds
21
E-value
97.0001
Farnesyl pyrophosphate synthase structureClick to view 3D structureFarnesyl pyrophosphate synthaseP14324HumansPredicted (SEA)
Prediction Confidence Score
0.209
Applicability Domain
0.214 Low confidence
Statistical Significance
0.016
Supporting Reference Compounds
22
E-value
124.714
Click to view 3D structurePutative inactive group IIC secretory phospholipase A2Q5R387HumansPredicted (SEA)
Prediction Confidence Score
0.208
Applicability Domain
0.208 Low confidence
Statistical Significance
0.0063
Supporting Reference Compounds
1
E-value
48.8893
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available