Prop-2-enyl 2-fluoroacetate (CED0310040)

Record Information

Version

1.0

Creation Date

2026-09-01 08:07:16 UTC

Update Date

2026-09-01 08:07:16 UTC

SynCED ID

CED0310040

Secondary Accession Numbers

CHEM355745

Identification

Common Name

Prop-2-enyl 2-fluoroacetate

Class

Small Molecule

Description

Prop-2-enyl 2-fluoroacetate is a chemical compound with the formula C5H7FO2 and an average molecular weight of 118.11 g/mol. It has been identified in or released from two recorded sources, specifically electrical and electronic equipment such as hybrid capacitors and electrodes.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₇FO₂

Average Molecular Mass

Not Available

Monoisotopic Mass

118.043 g/mol

CAS Registry Number

406-23-5

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

C=CCOC(=O)CF

InChI Identifier

InChI=1S/C5H7FO2/c1-2-3-8-5(7)4-6/h2H,1,3-4H2

InChI Key

KPJCWOXNYPYSPJ-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
179.0 Log mg/kg [100:320]	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	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	Not Available
CEDs000524	Hybrid Capacitors?Hybrid capacitors are energy storage devices that combine the properties of electrolytic and supercapacitors, utilizing a combination of electrochemical principles to achieve higher energy density and power density.	Electrical & Electronic Equipment	Not Available
CEDs000609	Aftershave?Aftershave is a grooming product typically used to soothe and protect the skin following shaving.	Personal care & cosmetics	Not Available
CEDs000610	Aftersun Products?Aftersun products are designed to soothe and hydrate the skin after sun exposure, often containing various synthetic chemicals such as emollients, preservatives, and fragrances.	Personal care & cosmetics	Not Available
CEDs000618	Lip Makeup Products?Lip makeup products, such as lipsticks, lip glosses, and lip liners, often contain a variety of synthetic chemicals, including pigments, preservatives, and emollients.	Personal care & cosmetics	Not Available
CEDs000698	Jewellery?Jewellery production often involves the use of various synthetic chemicals during the extraction and processing of metals.	Mining & metal processing	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	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	Cytochrome P450 2C23	P24470	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 0.0041 Supporting Reference Compounds 1 E-value 32.3074
Click to view 3D structure	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	Prediction Confidence Score 0.176 Applicability Domain 0.176 Low confidence Statistical Significance 0.0097 Supporting Reference Compounds 1 E-value 75.5137
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.191 Low confidence Statistical Significance 0.9693 Supporting Reference Compounds 955 E-value 7545.92
Click to view 3D structure	Muscarinic acetylcholine receptor M5	P08912	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.191 Low confidence Statistical Significance 0.8905 Supporting Reference Compounds 266 E-value 6932.24
Click to view 3D structure	Pyruvate carboxylase	A0A0H3JRU9	Staphylococcus aureus (strain Mu50 / ATCC 700699)	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.17 Low confidence Statistical Significance 0.091 Supporting Reference Compounds 1 E-value 708.272
Click to view 3D structure	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 4	Q9Y237	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0501 Supporting Reference Compounds 1 E-value 390.336
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.182 Low confidence Statistical Significance 0.9463 Supporting Reference Compounds 406 E-value 7367.03
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.191 Low confidence Statistical Significance 0.9805 Supporting Reference Compounds 823 E-value 7633.35
Click to view 3D structure	Histidine biosynthesis bifunctional protein HisB	P06987	Escherichia coli O26:H11 str. CFSAN001629	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.163 Low confidence Statistical Significance 0.0088 Supporting Reference Compounds 1 E-value 68.5073
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.167 Low confidence Statistical Significance 0.1698 Supporting Reference Compounds 20 E-value 1321.96
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.171 Low confidence Statistical Significance 0.7903 Supporting Reference Compounds 172 E-value 6152.74
Click to view 3D structure	Caspase-3	P42574	Humans	Predicted (SEA)	Prediction Confidence Score 0.159 Applicability Domain 0.175 Low confidence Statistical Significance 0.8555 Supporting Reference Compounds 125 E-value 6659.85
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.182 Low confidence Statistical Significance 0.9752 Supporting Reference Compounds 385 E-value 7592.09
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.182 Low confidence Statistical Significance 0.9657 Supporting Reference Compounds 310 E-value 7517.59
Click to view 3D structure	Protein kinase C alpha type	P17252	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.167 Low confidence Statistical Significance 0.9515 Supporting Reference Compounds 258 E-value 7407.35
Click to view 3D structure	Lysophosphatidic acid receptor 4	Q8BLG2	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.157 Low confidence Statistical Significance 0.0101 Supporting Reference Compounds 1 E-value 78.3942
Click to view 3D structure	Lysophosphatidic acid receptor 3	Q9UBY5	Humans	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.176 Low confidence Statistical Significance 0.2598 Supporting Reference Compounds 21 E-value 2022.29
Click to view 3D structure	Histidine decarboxylase	P16453	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.156 Applicability Domain 0.156 Low confidence Statistical Significance 0.0889 Supporting Reference Compounds 1 E-value 692.157
Click to view 3D structure	G-protein coupled receptor 55	Q9Y2T6	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.194 Low confidence Statistical Significance 0.8909 Supporting Reference Compounds 125 E-value 6935.9
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.155 Applicability Domain 0.163 Low confidence Statistical Significance 0.4664 Supporting Reference Compounds 40 E-value 3631.28
Click to view 3D structure	Cyclic nucleotide-gated channel alpha-1	Q00194	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.154 Applicability Domain 0.163 Low confidence Statistical Significance 0.0972 Supporting Reference Compounds 2 E-value 757.006
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.194 Low confidence Statistical Significance 0.938 Supporting Reference Compounds 343 E-value 7302.02
Click to view 3D structure	Protein-glutamine gamma-glutamyltransferase 2	P21980	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.169 Low confidence Statistical Significance 0.35 Supporting Reference Compounds 14 E-value 2724.65
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.162 Low confidence Statistical Significance 0.9442 Supporting Reference Compounds 372 E-value 7350.76
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.162 Low confidence Statistical Significance 0.9067 Supporting Reference Compounds 242 E-value 7058.9