4-(Heptadecafluorooctyl)-N-methylbenzamide (CED0189016)

Record Information

Version

1.0

Creation Date

2026-04-06 06:57:35 UTC

Update Date

2026-08-28 22:09:26 UTC

SynCED ID

CED0189016

Secondary Accession Numbers

CHEM119533

Identification

Common Name

4-(Heptadecafluorooctyl)-N-methylbenzamide

Class

Small Molecule

Description

4-(Heptadecafluorooctyl)-N-methylbenzamide belongs to the benzoic acids and derivatives, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 553.22 g/mol, 4-(Heptadecafluorooctyl)-N-methylbenzamide is a heavy molecule. It has the chemical formula C16H8F17NO. This 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, batteries, printed circuit boards, wires and cables, and one additional source. Within the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging from the food, food processing and cookware sector, medical devices from the healthcare, pharmaceuticals and veterinary products sector, and lubricants used in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one more 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

C₁₆H₈F₁₇NO

Average Molecular Mass

553.219 g/mol

Monoisotopic Mass

553.033 g/mol

CAS Registry Number

89932-69-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CNC(=O)C1=CC=C(C=C1)C(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 Identifier

InChI=1S/C16H8F17NO/c1-34-8(35)6-2-4-7(5-3-6)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h2-5H,1H3,(H,34,35)

InChI Key

SWTPFYIUUFAQGT-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
670.0 Log mg/kg [380:1200]	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	Envelope phospholipase OPG057	P04021	Vaccinia virus (strain Western Reserve) (VACV) (Vaccinia virus (strainWR))	Predicted (SEA)	Prediction Confidence Score 0.326 Applicability Domain 0.326 Statistical Significance 9.40e-04 Supporting Reference Compounds 1 E-value 7.31783
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.326 Statistical Significance 0.0968 Supporting Reference Compounds 553 E-value 753.58
Click to view 3D structure	Sodium-dependent neutral amino acid transporter B(0)AT1	Q695T7	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.284 Low confidence Statistical Significance 0.0028 Supporting Reference Compounds 1 E-value 21.9535
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.283 Applicability Domain 0.326 Statistical Significance 0.1059 Supporting Reference Compounds 497 E-value 824.735
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.277 Applicability Domain 0.293 Low confidence Statistical Significance 0.0814 Supporting Reference Compounds 472 E-value 633.615
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	Prediction Confidence Score 0.275 Applicability Domain 0.328 Statistical Significance 0.0332 Supporting Reference Compounds 93 E-value 258.459
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.274 Applicability Domain 0.326 Statistical Significance 0.0874 Supporting Reference Compounds 317 E-value 680.558
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.269 Applicability Domain 0.297 Low confidence Statistical Significance 0.2948 Supporting Reference Compounds 1660 E-value 2295.15
Click to view 3D structure	Short transient receptor potential channel 4	Q9QUQ5	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.283 Low confidence Statistical Significance 0.0265 Supporting Reference Compounds 128 E-value 206.612
Click to view 3D structure	Histone deacetylase 4	P56524	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.326 Statistical Significance 0.0628 Supporting Reference Compounds 185 E-value 488.66
Click to view 3D structure	Histone deacetylase 3	O15379	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.326 Statistical Significance 0.0822 Supporting Reference Compounds 257 E-value 639.765
Click to view 3D structure	Focal adhesion kinase 1	Q05397	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.297 Low confidence Statistical Significance 0.1847 Supporting Reference Compounds 615 E-value 1437.64
Click to view 3D structure	Tyrosine-protein kinase JAK3	P52333	Humans	Predicted (SEA)	Prediction Confidence Score 0.267 Applicability Domain 0.297 Low confidence Statistical Significance 0.2483 Supporting Reference Compounds 961 E-value 1932.76
Click to view 3D structure	Histone deacetylase 7	Q8WUI4	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.326 Statistical Significance 0.0476 Supporting Reference Compounds 148 E-value 370.64
Click to view 3D structure	Tyrosine-protein kinase JAK2	O60674	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.297 Low confidence Statistical Significance 0.299 Supporting Reference Compounds 1022 E-value 2327.85
Click to view 3D structure	Histone deacetylase 2	Q92769	Humans	Predicted (SEA)	Prediction Confidence Score 0.26 Applicability Domain 0.326 Statistical Significance 0.1239 Supporting Reference Compounds 307 E-value 964.396
Click to view 3D structure	Histone deacetylase 11	Q96DB2	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.326 Statistical Significance 0.0623 Supporting Reference Compounds 149 E-value 485.312
Click to view 3D structure	Streptokinase A	P10520	Streptococcus pyogenes serotype M1	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.277 Low confidence Statistical Significance 0.097 Supporting Reference Compounds 425 E-value 754.982
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.259 Applicability Domain 0.302 Statistical Significance 0.0719 Supporting Reference Compounds 192 E-value 559.58
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.257 Applicability Domain 0.293 Low confidence Statistical Significance 0.1129 Supporting Reference Compounds 407 E-value 879.229
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.271 Low confidence Statistical Significance 0.4938 Supporting Reference Compounds 1538 E-value 3844.51
Click to view 3D structure	High affinity nerve growth factor receptor	P04629	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.297 Low confidence Statistical Significance 0.3129 Supporting Reference Compounds 869 E-value 2436.14
Click to view 3D structure	BDNF/NT-3 growth factors receptor	Q16620	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.297 Low confidence Statistical Significance 0.2802 Supporting Reference Compounds 721 E-value 2181.65
Click to view 3D structure	NT-3 growth factor receptor	Q16288	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.297 Low confidence Statistical Significance 0.2369 Supporting Reference Compounds 529 E-value 1844.09
Click to view 3D structure	Non-receptor tyrosine-protein kinase TYK2	P29597	Humans	Predicted (SEA)	Prediction Confidence Score 0.255 Applicability Domain 0.297 Low confidence Statistical Significance 0.2626 Supporting Reference Compounds 657 E-value 2044.09