4,5,5,5-Tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol (CED0189975)

Record Information
Version1.0
Creation Date2026-04-06 06:45:14 UTC
Update Date2026-08-23 12:39:08 UTC
SynCED IDCED0189975
Secondary Accession Numbers
  • CHEM119279
Identification
Common Name4,5,5,5-Tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
ClassSmall Molecule
Description
4,5,5,5-Tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol is an organic compound with the chemical formula C6H6F7IO and an average molecular weight of 354.01 g/mol. 4,5,5,5-Tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol belongs to the iodohydrins, a subclass of halohydrins within the organic compounds. The compound is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with capacitors, cell phones, batteries, wires and cables, and printed circuit boards, among one other source. Within textiles, leather and furnishings, it is found in carpets, rugs, and synthetic textiles. Other recorded sources include food packaging from the food, food processing and cookware sector, as well as medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is identified in lubricants used in energy, oil and gas, as well as industrial manufacturing and chemical processing, along with one other sector. Recorded exposure routes for this substance include touch, oral, and inhalation.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC6H6F7IO
Average Molecular Mass354.006 g/mol
Monoisotopic Mass353.935 g/mol
CAS Registry Number114810-56-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESOCC(I)CC(F)(C(F)(F)F)C(F)(F)F
InChI IdentifierInChI=1S/C6H6F7IO/c7-4(5(8,9)10,6(11,12)13)1-3(14)2-15/h3,15H,1-2H2
InChI KeyVCOYOPKEJYAJCN-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
1584.0 Log mg/kg [890:2800]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
CEDs000740Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.Paper, pulp & fiber productsPubChem
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 structureAsc-type amino acid transporter 1P63116RatPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.172 Low confidence
Statistical Significance
0.0031
Supporting Reference Compounds
2
E-value
23.8219
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.143
Applicability Domain
0.15 Low confidence
Statistical Significance
0.6289
Supporting Reference Compounds
55
E-value
4896.09
Phosphoglycerate kinase structureClick to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.139
Applicability Domain
0.139 Low confidence
Statistical Significance
0.0029
Supporting Reference Compounds
1
E-value
22.5763
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.138
Applicability Domain
0.15 Low confidence
Statistical Significance
0.3903
Supporting Reference Compounds
20
E-value
3038.3
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.138
Applicability Domain
0.15 Low confidence
Statistical Significance
0.0188
Supporting Reference Compounds
6
E-value
146.746
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.134
Applicability Domain
0.143 Low confidence
Statistical Significance
0.0229
Supporting Reference Compounds
2
E-value
178.43
GIM-1 protein structureClick to view 3D structureGIM-1 proteinQ704V1Pseudomonas aeruginosaPredicted (SEA)
Prediction Confidence Score
0.134
Applicability Domain
0.143 Low confidence
Statistical Significance
0.2021
Supporting Reference Compounds
2
E-value
1573.25
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.133
Applicability Domain
0.143 Low confidence
Statistical Significance
0.7843
Supporting Reference Compounds
40
E-value
6105.79
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.132
Applicability Domain
0.143 Low confidence
Statistical Significance
0.9775
Supporting Reference Compounds
106
E-value
7610.15
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.13
Applicability Domain
0.143 Low confidence
Statistical Significance
0.028
Supporting Reference Compounds
4
E-value
218.367
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)
Prediction Confidence Score
0.129
Applicability Domain
0.156 Low confidence
Statistical Significance
0.9757
Supporting Reference Compounds
102
E-value
7595.67
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.128 Low confidence
Statistical Significance
0.0332
Supporting Reference Compounds
2
E-value
258.537
Click to view 3D structureHemagglutinin-neuraminidaseQ06992Human parainfluenza virus 1Predicted (SEA)
Prediction Confidence Score
0.124
Applicability Domain
0.148 Low confidence
Statistical Significance
0.0851
Supporting Reference Compounds
3
E-value
662.497
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.122
Applicability Domain
0.122 Low confidence
Statistical Significance
0.0261
Supporting Reference Compounds
1
E-value
203.576
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)
Prediction Confidence Score
0.122
Applicability Domain
0.185 Low confidence
Statistical Significance
0.9961
Supporting Reference Compounds
146
E-value
7754.25
Acetylpolyamine amidohydrolase structureClick to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)
Prediction Confidence Score
0.119
Applicability Domain
0.119 Low confidence
Statistical Significance
0.038
Supporting Reference Compounds
1
E-value
295.671
Nuclear receptor ROR-alpha structureClick to view 3D structureNuclear receptor ROR-alphaP35398HumansPredicted (SEA)
Prediction Confidence Score
0.119
Applicability Domain
0.125 Low confidence
Statistical Significance
0.9649
Supporting Reference Compounds
41
E-value
7511.98
Click to view 3D structureRyanodien receptorH9CNL0Spodoptera exiguaPredicted (SEA)
Prediction Confidence Score
0.119
Applicability Domain
0.119 Low confidence
Statistical Significance
0.5073
Supporting Reference Compounds
1
E-value
3949.52
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.118 Low confidence
Statistical Significance
0.9995
Supporting Reference Compounds
385
E-value
7780.72
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.118 Low confidence
Statistical Significance
0.999
Supporting Reference Compounds
266
E-value
7777.06
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.118 Low confidence
Statistical Significance
0.9995
Supporting Reference Compounds
373
E-value
7780.95
Muscarinic acetylcholine receptor M3 structureClick to view 3D structureMuscarinic acetylcholine receptor M3P20309HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.118 Low confidence
Statistical Significance
0.9992
Supporting Reference Compounds
310
E-value
7778.93
Replicase polyprotein 1ab structureClick to view 3D structureReplicase polyprotein 1abP0DTD1SARS-CoV-2Predicted (SEA)
Prediction Confidence Score
0.114
Applicability Domain
0.122 Low confidence
Statistical Significance
0.9992
Supporting Reference Compounds
215
E-value
7778.85
Inward rectifier potassium channel 2 structureClick to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)
Prediction Confidence Score
0.114
Applicability Domain
0.114 Low confidence
Statistical Significance
0.6073
Supporting Reference Compounds
1
E-value
4727.71
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)
Prediction Confidence Score
0.113
Applicability Domain
0.122 Low confidence
Statistical Significance
0.9969
Supporting Reference Compounds
141
E-value
7761.1
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available