(4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one (CED0189008)

Record Information
Version1.0
Creation Date2026-04-06 05:57:46 UTC
Update Date2026-08-19 05:13:29 UTC
SynCED IDCED0189008
Secondary Accession Numbers
  • CHEM118509
Identification
Common Name(4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
ClassSmall Molecule
Description
(4S,5R)-4-(Propan-2-yl)-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one belongs to the oxazolidines, a subclass of azolidines within the organic compounds. This organoheterocyclic compound has the chemical formula C14H14F13NO2 and an average molecular weight of 475.25 g/mol. The compound is found in or released from 13 recorded sources across multiple sectors. Within the electrical and electronic equipment sector, it is associated with capacitors, cell phones, printed circuit boards, batteries, wires and cables, and one additional source. It is also present in the textiles, leather and furnishings sector, specifically in synthetic textiles as well as carpets and rugs. In 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, it is found in lubricants within 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 this substance include oral, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC14H14F13NO2
Average Molecular Mass475.250 g/mol
Monoisotopic Mass475.082 g/mol
CAS Registry Number871210-22-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)[C@@H]1NC(=O)O[C@@H]1CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C14H14F13NO2/c1-5(2)7-6(30-8(29)28-7)3-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h5-7H,3-4H2,1-2H3,(H,28,29)/t6-,7+/m1/s1
InChI KeyKIONFYCZIQVYKJ-RQJHMYQMSA-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
446.0 Log mg/kg [250:790]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
72 kDa type IV collagenase structureClick to view 3D structure72 kDa type IV collagenaseP08253HumansPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.212 Low confidence
Statistical Significance
0.8259
Supporting Reference Compounds
400
E-value
6429.72
Click to view 3D structurePotassium channel subfamily K member 2Q920B6Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.179
Applicability Domain
0.179 Low confidence
Statistical Significance
0.018
Supporting Reference Compounds
1
E-value
140.44
Type II NADH:quinone oxidoreductase Ndh structureClick to view 3D structureType II NADH:quinone oxidoreductase NdhP95160Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.173 Low confidence
Statistical Significance
0.0584
Supporting Reference Compounds
1
E-value
455.029
Click to view 3D structureType II NADH:quinone oxidoreductase NdhAP95200Mycobacterium tuberculosisPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.173 Low confidence
Statistical Significance
0.0584
Supporting Reference Compounds
1
E-value
455.029
Neutrophil collagenase structureClick to view 3D structureNeutrophil collagenaseP22894HumansPredicted (SEA)
Prediction Confidence Score
0.173
Applicability Domain
0.212 Low confidence
Statistical Significance
0.696
Supporting Reference Compounds
176
E-value
5418.15
Interstitial collagenase structureClick to view 3D structureInterstitial collagenaseP03956HumansPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.212 Low confidence
Statistical Significance
0.8215
Supporting Reference Compounds
258
E-value
6395.24
Protein kinase C delta type structureClick to view 3D structureProtein kinase C delta typeQ05655HumansPredicted (SEA)
Prediction Confidence Score
0.171
Applicability Domain
0.185 Low confidence
Statistical Significance
0.9589
Supporting Reference Compounds
681
E-value
7464.81
Protein kinase C gamma type structureClick to view 3D structureProtein kinase C gamma typeP05129HumansPredicted (SEA)
Prediction Confidence Score
0.171
Applicability Domain
0.185 Low confidence
Statistical Significance
0.9494
Supporting Reference Compounds
552
E-value
7391.39
Matrix metalloproteinase-9 structureClick to view 3D structureMatrix metalloproteinase-9P14780HumansPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.212 Low confidence
Statistical Significance
0.8524
Supporting Reference Compounds
292
E-value
6635.79
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)
Prediction Confidence Score
0.169
Applicability Domain
0.181 Low confidence
Statistical Significance
0.9456
Supporting Reference Compounds
497
E-value
7361.19
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.186 Low confidence
Statistical Significance
0.9891
Supporting Reference Compounds
1498
E-value
7699.91
Stromelysin-1 structureClick to view 3D structureStromelysin-1P08254HumansPredicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.178 Low confidence
Statistical Significance
0.8179
Supporting Reference Compounds
200
E-value
6366.98
Reverse transcriptase/RNaseH structureClick to view 3D structureReverse transcriptase/RNaseHQ72547Human immunodeficiency virus 1Predicted (SEA)
Prediction Confidence Score
0.168
Applicability Domain
0.194 Low confidence
Statistical Significance
0.6016
Supporting Reference Compounds
79
E-value
4683.56
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A structureClick to view 3D structureHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9AO76083HumansPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.183 Low confidence
Statistical Significance
0.7329
Supporting Reference Compounds
96
E-value
5705.88
Protein kinase C alpha type structureClick to view 3D structureProtein kinase C alpha typeP17252HumansPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.185 Low confidence
Statistical Significance
0.9152
Supporting Reference Compounds
258
E-value
7124.45
Macrophage metalloelastase structureClick to view 3D structureMacrophage metalloelastaseP39900HumansPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.178 Low confidence
Statistical Significance
0.7871
Supporting Reference Compounds
136
E-value
6127.67
A disintegrin and metalloproteinase with thrombospondin motifs 5 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 5Q9UNA0HumansPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.178 Low confidence
Statistical Significance
0.7096
Supporting Reference Compounds
79
E-value
5524.1
A disintegrin and metalloproteinase with thrombospondin motifs 4 structureClick to view 3D structureA disintegrin and metalloproteinase with thrombospondin motifs 4O75173HumansPredicted (SEA)
Prediction Confidence Score
0.166
Applicability Domain
0.178 Low confidence
Statistical Significance
0.7037
Supporting Reference Compounds
79
E-value
5478.48
Poly [ADP-ribose] polymerase tankyrase-2 structureClick to view 3D structurePoly [ADP-ribose] polymerase tankyrase-2Q9H2K2HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.175 Low confidence
Statistical Significance
0.7512
Supporting Reference Compounds
90
E-value
5848.27
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.169 Low confidence
Statistical Significance
0.9729
Supporting Reference Compounds
1017
E-value
7573.87
Thymidine kinase, cytosolic structureClick to view 3D structureThymidine kinase, cytosolicP04183HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.173 Low confidence
Statistical Significance
0.0457
Supporting Reference Compounds
11
E-value
355.615
Matrix metalloproteinase-14 structureClick to view 3D structureMatrix metalloproteinase-14P50281HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.178 Low confidence
Statistical Significance
0.8608
Supporting Reference Compounds
198
E-value
6701.34
Collagenase 3 structureClick to view 3D structureCollagenase 3P45452HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.178 Low confidence
Statistical Significance
0.9111
Supporting Reference Compounds
269
E-value
7093.23
Cytochrome P450 3A4 structureClick to view 3D structureCytochrome P450 3A4P08684HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.176 Low confidence
Statistical Significance
0.9949
Supporting Reference Compounds
1538
E-value
7744.91
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.177 Low confidence
Statistical Significance
0.993
Supporting Reference Compounds
1245
E-value
7730.27
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available