1-Methylethyl perfluorobutanimidoate (CED0004949)

Record Information

Version

1.0

Creation Date

2026-04-06 07:10:22 UTC

Update Date

2026-08-24 08:24:40 UTC

SynCED ID

CED0004949

Secondary Accession Numbers

CHEM119692

Identification

Common Name

1-Methylethyl perfluorobutanimidoate

Class

Small Molecule

Description

1-Methylethyl perfluorobutanimidoate is an organic compound with the chemical formula C7H8F7NO and an average molecular weight of 255.14 g/mol. 1-Methylethyl perfluorobutanimidoate belongs to the imidoesters, a subclass of carboximidic acids and derivatives within the organic compounds. This substance is found in or released from 13 recorded sources across several industrial and consumer sectors. Within the electrical and electronic equipment sector, it is associated with batteries, capacitors, cell phones, printed circuit boards, wires and cables, and one additional source. It is also found in food packaging within the food, food processing and cookware sector. In the healthcare, pharmaceuticals and veterinary products sector, it is linked to medical devices. The compound is present in lubricants used in both industrial manufacturing and chemical processing as well as in the energy, oil and gas sector. Additionally, it is found in synthetic textiles, carpets and rugs within the textiles, leather and furnishings sector, as well as one other sector. Recorded routes of exposure for 1-methylethyl perfluorobutanimidoate include touch, oral, and inhalation.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₇H₈F₇NO

Average Molecular Mass

255.136 g/mol

Monoisotopic Mass

255.049 g/mol

CAS Registry Number

4192-05-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)OC(=N)C(F)(F)C(F)(F)C(F)(F)F

InChI Identifier

InChI=1S/C7H8F7NO/c1-3(2)16-4(15)5(8,9)6(10,11)7(12,13)14/h3,15H,1-2H3

InChI Key

MCKRJDYXIPRUNQ-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
1585.0 Log mg/kg [890:2800]	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	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.194 Low confidence Statistical Significance 0.2194 Supporting Reference Compounds 20 E-value 1707.78
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.19 Low confidence Statistical Significance 0.9629 Supporting Reference Compounds 472 E-value 7496.18
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.17 Low confidence Statistical Significance 0.9958 Supporting Reference Compounds 1245 E-value 7752.54
Click to view 3D structure	Obtusifoliol 14-alpha demethylase	P93846	Sorghum bicolor	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.15 Low confidence Statistical Significance 0.1808 Supporting Reference Compounds 1 E-value 1407.51
Click to view 3D structure	Ryanodien receptor	H9CNL0	Spodoptera exigua	Predicted (SEA)	Prediction Confidence Score 0.15 Applicability Domain 0.15 Low confidence Statistical Significance 0.2191 Supporting Reference Compounds 1 E-value 1706.07
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.167 Low confidence Statistical Significance 0.6257 Supporting Reference Compounds 55 E-value 4870.87
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.19 Low confidence Statistical Significance 0.981 Supporting Reference Compounds 407 E-value 7637.16
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.141 Applicability Domain 0.188 Low confidence Statistical Significance 0.9968 Supporting Reference Compounds 955 E-value 7759.85
Click to view 3D structure	ACCase	H9BT73	Alopecurus japonicus	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.14 Low confidence Statistical Significance 0.3274 Supporting Reference Compounds 1 E-value 2548.78
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.139 Applicability Domain 0.167 Low confidence Statistical Significance 0.0179 Supporting Reference Compounds 6 E-value 139.194
Click to view 3D structure	Adenosine receptor A3	P0DMS8	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.188 Low confidence Statistical Significance 0.9944 Supporting Reference Compounds 391 E-value 7741.56
Click to view 3D structure	Uncharacterized protein	A0A8C0THM6	Canis lupus familiaris	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.136 Low confidence Statistical Significance 0.2318 Supporting Reference Compounds 1 E-value 1804.78
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.194 Low confidence Statistical Significance 0.9949 Supporting Reference Compounds 406 E-value 7744.91
Click to view 3D structure	Fatty-acid amide hydrolase 1	O08914	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.146 Low confidence Statistical Significance 0.8383 Supporting Reference Compounds 46 E-value 6526.26
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.188 Low confidence Statistical Significance 0.9968 Supporting Reference Compounds 506 E-value 7760.24
Click to view 3D structure	Sodium/hydrogen exchanger 1	P19634	Humans	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.161 Low confidence Statistical Significance 0.6671 Supporting Reference Compounds 21 E-value 5193.24
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.188 Low confidence Statistical Significance 0.9975 Supporting Reference Compounds 823 E-value 7765.54
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.154 Low confidence Statistical Significance 0.9974 Supporting Reference Compounds 553 E-value 7765.07
Click to view 3D structure	Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2	O43314	Humans	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.135 Low confidence Statistical Significance 0.0209 Supporting Reference Compounds 1 E-value 163.016
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.161 Low confidence Statistical Significance 0.999 Supporting Reference Compounds 1538 E-value 7776.9
Click to view 3D structure	Glucose-dependent insulinotropic receptor	Q8TDV5	Humans	Predicted (SEA)	Prediction Confidence Score 0.134 Applicability Domain 0.145 Low confidence Statistical Significance 0.9612 Supporting Reference Compounds 51 E-value 7482.56
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.188 Low confidence Statistical Significance 0.9866 Supporting Reference Compounds 192 E-value 7680.6
Click to view 3D structure	Peroxisome proliferator-activated receptor alpha	Q07869	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.188 Low confidence Statistical Significance 0.9696 Supporting Reference Compounds 127 E-value 7548.18
Click to view 3D structure	Monoglyceride lipase	O35678	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.146 Low confidence Statistical Significance 0.8138 Supporting Reference Compounds 34 E-value 6335.45
Click to view 3D structure	Urokinase-type plasminogen activator	P00749	Humans	Predicted (SEA)	Prediction Confidence Score 0.133 Applicability Domain 0.157 Low confidence Statistical Significance 0.974 Supporting Reference Compounds 151 E-value 7582.51