1,1,1,2,2,3,3,4,4,7,7,7-Dodecafluoroheptane (CED0191374)

Record Information
Version1.0
Creation Date2026-04-06 07:20:21 UTC
Update Date2026-08-24 01:13:12 UTC
SynCED IDCED0191374
Secondary Accession Numbers
  • CHEM119794
Identification
Common Name1,1,1,2,2,3,3,4,4,7,7,7-Dodecafluoroheptane
ClassSmall Molecule
Description
1,1,1,2,2,3,3,4,4,7,7,7-Dodecafluoroheptane belongs to the organofluorides, a class of organohalogen compounds within the organic compounds. This compound has the chemical formula C7H4F12 and an average molecular weight of 316.09 g/mol. It is found in or released from 13 recorded sources across several sectors. Within the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. It is also present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is utilized as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one more sector. Recorded routes of exposure for 1,1,1,2,2,3,3,4,4,7,7,7-Dodecafluoroheptane include inhalation, oral exposure, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC7H4F12
Average Molecular Mass316.090 g/mol
Monoisotopic Mass316.012 g/mol
CAS Registry Number503189-11-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C7H4F12/c8-3(9,1-2-4(10,11)12)5(13,14)6(15,16)7(17,18)19/h1-2H2
InChI KeyRDTOHVCWSKMGDV-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
6780.0 Log mg/kg [3800:12000]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
0.123
Applicability Domain
0.132 Low confidence
Statistical Significance
0.8641
Supporting Reference Compounds
55
E-value
6727.26
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)
Prediction Confidence Score
0.121
Applicability Domain
0.133 Low confidence
Statistical Significance
0.9877
Supporting Reference Compounds
102
E-value
7688.86
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.119
Applicability Domain
0.132 Low confidence
Statistical Significance
0.0502
Supporting Reference Compounds
6
E-value
390.647
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.119
Applicability Domain
0.132 Low confidence
Statistical Significance
0.6491
Supporting Reference Compounds
20
E-value
5053.5
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.119
Applicability Domain
0.154 Low confidence
Statistical Significance
0.9971
Supporting Reference Compounds
174
E-value
7762.5
Phosphoglycerate kinase structureClick to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.118
Applicability Domain
0.118 Low confidence
Statistical Significance
0.012
Supporting Reference Compounds
1
E-value
93.1077
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.117
Applicability Domain
0.154 Low confidence
Statistical Significance
0.9974
Supporting Reference Compounds
201
E-value
7764.99
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.113
Applicability Domain
0.121 Low confidence
Statistical Significance
0.0574
Supporting Reference Compounds
2
E-value
447.01
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.112
Applicability Domain
0.121 Low confidence
Statistical Significance
0.9463
Supporting Reference Compounds
40
E-value
7366.56
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.112
Applicability Domain
0.121 Low confidence
Statistical Significance
0.9963
Supporting Reference Compounds
106
E-value
7756.51
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.11
Applicability Domain
0.121 Low confidence
Statistical Significance
0.0735
Supporting Reference Compounds
4
E-value
572.114
Nuclear receptor ROR-alpha structureClick to view 3D structureNuclear receptor ROR-alphaP35398HumansPredicted (SEA)
Prediction Confidence Score
0.11
Applicability Domain
0.128 Low confidence
Statistical Significance
0.9847
Supporting Reference Compounds
41
E-value
7666.2
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)
Prediction Confidence Score
0.108
Applicability Domain
0.118 Low confidence
Statistical Significance
0.9976
Supporting Reference Compounds
119
E-value
7766.16
Receptor-type tyrosine-protein phosphatase zeta structureClick to view 3D structureReceptor-type tyrosine-protein phosphatase zetaP23471HumansPredicted (SEA)
Prediction Confidence Score
0.107
Applicability Domain
0.114 Low confidence
Statistical Significance
0.1949
Supporting Reference Compounds
2
E-value
1517.36
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.107
Applicability Domain
0.108 Low confidence
Statistical Significance
0.0912
Supporting Reference Compounds
2
E-value
710.218
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.106
Applicability Domain
0.157 Low confidence
Statistical Significance
0.9997
Supporting Reference Compounds
472
E-value
7782.82
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)
Prediction Confidence Score
0.106
Applicability Domain
0.157 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
407
E-value
7782.12
Click to view 3D structureNuclear receptor ROR-betaQ92753HumansPredicted (SEA)
Prediction Confidence Score
0.106
Applicability Domain
0.128 Low confidence
Statistical Significance
0.9853
Supporting Reference Compounds
37
E-value
7670.8
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)
Prediction Confidence Score
0.104
Applicability Domain
0.104 Low confidence
Statistical Significance
0.157
Supporting Reference Compounds
1
E-value
1222.62
Protein RecA structureClick to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.104
Applicability Domain
0.109 Low confidence
Statistical Significance
0.999
Supporting Reference Compounds
296
E-value
7777.29
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)
Prediction Confidence Score
0.104
Applicability Domain
0.111 Low confidence
Statistical Significance
0.9987
Supporting Reference Compounds
117
E-value
7774.49
Nuclear receptor subfamily 1 group I member 2 structureClick to view 3D structureNuclear receptor subfamily 1 group I member 2O75469HumansPredicted (SEA)
Prediction Confidence Score
0.103
Applicability Domain
0.128 Low confidence
Statistical Significance
0.9992
Supporting Reference Compounds
146
E-value
7778.77
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.103
Applicability Domain
0.103 Low confidence
Statistical Significance
0.0829
Supporting Reference Compounds
1
E-value
645.526
Neurogenic locus notch homolog protein 3 structureClick to view 3D structureNeurogenic locus notch homolog protein 3Q9UM47HumansPredicted (SEA)
Prediction Confidence Score
0.102
Applicability Domain
0.103 Low confidence
Statistical Significance
0.8434
Supporting Reference Compounds
2
E-value
6565.65
Neurogenic locus notch homolog protein 2 structureClick to view 3D structureNeurogenic locus notch homolog protein 2Q04721HumansPredicted (SEA)
Prediction Confidence Score
0.101
Applicability Domain
0.101 Low confidence
Statistical Significance
0.8307
Supporting Reference Compounds
1
E-value
6467.25
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available