N-[6-(Heptafluoropropyl)-2-oxo-2H-pyran-3-yl]benzamide (CED0190426)

Record Information

Version

1.0

Creation Date

2026-04-06 05:57:52 UTC

Update Date

2026-08-28 15:52:00 UTC

SynCED ID

CED0190426

Secondary Accession Numbers

CHEM118512

Identification

Common Name

N-[6-(Heptafluoropropyl)-2-oxo-2H-pyran-3-yl]benzamide

Class

Small Molecule

Description

N-[6-(Heptafluoropropyl)-2-oxo-2H-pyran-3-yl]benzamide is an organic compound with the formula C15H8F7NO3 and an average molecular weight of 383.22 g/mol. N-[6-(Heptafluoropropyl)-2-oxo-2H-pyran-3-yl]benzamide belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives 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 cell phones, capacitors, wires and cables, batteries, 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 compound include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₅H₈F₇NO₃

Average Molecular Mass

383.222 g/mol

Monoisotopic Mass

383.039 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC(F)(F)C(F)(F)C(F)(F)C1=CC=C(NC(=O)C2=CC=CC=C2)C(=O)O1

InChI Identifier

InChI=1S/C15H8F7NO3/c16-13(17,14(18,19)15(20,21)22)10-7-6-9(12(25)26-10)23-11(24)8-4-2-1-3-5-8/h1-7H,(H,23,24)

InChI Key

OQPNDTLZZNMIPO-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
261.0 Log mg/kg [150:460]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed 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 Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?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 Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets 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 & furnishings	Not Available
CEDs000454	Synthetic 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 & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Protective antigen	P13423	Bacillus anthracis	Predicted (SEA)	Prediction Confidence Score 0.333 Applicability Domain 0.333 Statistical Significance 0.0011 Supporting Reference Compounds 1 E-value 8.48557
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.327 Applicability Domain 0.346 Statistical Significance 0.0345 Supporting Reference Compounds 553 E-value 268.969
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.316 Applicability Domain 0.353 Statistical Significance 0.0475 Supporting Reference Compounds 497 E-value 369.628
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.315 Applicability Domain 0.346 Statistical Significance 0.0281 Supporting Reference Compounds 317 E-value 219.068
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.299 Applicability Domain 0.353 Statistical Significance 0.0403 Supporting Reference Compounds 307 E-value 313.421
Click to view 3D structure	Bile acid receptor	Q96RI1	Humans	Predicted (SEA)	Prediction Confidence Score 0.294 Applicability Domain 0.333 Statistical Significance 0.009 Supporting Reference Compounds 94 E-value 70.3757
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.293 Applicability Domain 0.333 Statistical Significance 0.0219 Supporting Reference Compounds 192 E-value 170.879
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.389 Statistical Significance 0.0446 Supporting Reference Compounds 315 E-value 346.896
Click to view 3D structure	Apoptotic protease-activating factor 1	O14727	Humans	Predicted (SEA)	Prediction Confidence Score 0.286 Applicability Domain 0.321 Statistical Significance 0.0031 Supporting Reference Compounds 112 E-value 24.2111
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.333 Statistical Significance 0.0504 Supporting Reference Compounds 332 E-value 392.594
Click to view 3D structure	GMP synthase [glutamine-hydrolyzing]	Q3THK7	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.279 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 1 E-value 10.7432
Click to view 3D structure	Aurora kinase A	O14965	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.333 Statistical Significance 0.1847 Supporting Reference Compounds 996 E-value 1437.72
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.333 Statistical Significance 0.0676 Supporting Reference Compounds 257 E-value 526.261
Click to view 3D structure	G-protein coupled receptor 35	Q9HC97	Humans	Predicted (SEA)	Prediction Confidence Score 0.273 Applicability Domain 0.362 Statistical Significance 0.0099 Supporting Reference Compounds 115 E-value 76.8372
Click to view 3D structure	Inhibitor of growth protein 2	Q9H160	Humans	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.271 Low confidence Statistical Significance 0.0032 Supporting Reference Compounds 1 E-value 24.6782
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.321 Statistical Significance 0.0636 Supporting Reference Compounds 425 E-value 495.121
Click to view 3D structure	SRSF protein kinase 1	O70551	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.27 Low confidence Statistical Significance 0.007 Supporting Reference Compounds 1 E-value 54.2609
Click to view 3D structure	Histone deacetylase 8	A5H660	Schistosoma mansoni	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.346 Statistical Significance 0.0112 Supporting Reference Compounds 17 E-value 86.8797
Click to view 3D structure	Ryanodien receptor	H9CNL0	Spodoptera exigua	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.269 Low confidence Statistical Significance 0.0011 Supporting Reference Compounds 1 E-value 8.64126
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.314 Statistical Significance 0.0851 Supporting Reference Compounds 407 E-value 662.497
Click to view 3D structure	Protein RecA	P9WHJ3	Mycobacterium tuberculosis	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.294 Low confidence Statistical Significance 0.0471 Supporting Reference Compounds 296 E-value 366.67
Click to view 3D structure	Sentrin-specific protease 6	Q9GZR1	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.3 Statistical Significance 0.0157 Supporting Reference Compounds 93 E-value 121.99
Click to view 3D structure	Coproporphyrinogen III oxidase	P32397	Bacillus subtilis (strain 168)	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.261 Low confidence Statistical Significance 0.0013 Supporting Reference Compounds 1 E-value 10.4318
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.261 Applicability Domain 0.389 Statistical Significance 0.0442 Supporting Reference Compounds 166 E-value 344.405
Click to view 3D structure	Aurora kinase B	Q96GD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.295 Low confidence Statistical Significance 0.3039 Supporting Reference Compounds 1017 E-value 2365.84