Trifluoroacetate (CED0001049)

Record Information

Version

1.0

Creation Date

2026-04-06 17:09:49 UTC

Update Date

2026-04-06 17:09:49 UTC

Accession Number

CHEM128105

Identification

Common Name

Trifluoroacetate

Class

Small Molecule

Description

Trifluoroacetate is an organic compound with the formula C2F3O2 and an average molecular weight of 113.02 g/mol. Trifluoroacetate belongs to the alpha-halocarboxylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This substance is found in or released from four recorded sources. These include building and construction materials, specifically tents or canopies, as well as electrical and electronic equipment. Within the latter category, sources include auxiliary devices, superconducting magnets and superconducting coils, and superconductive or hyperconductive conductors cables or transmission lines.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₂F₃O₂

Average Molecular Mass

113.016 g/mol

Monoisotopic Mass

112.986 g/mol

CAS Registry Number

14477-72-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

[O-]C(=O)C(F)(F)F

InChI Identifier

InChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/p-1

InChI Key

DTQVDTLACAAQTR-UHFFFAOYSA-M

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

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Toxicity Value	Unit	Value Range	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Reference
233.0	Log mg/kg	[130:410]	Rat	LD50	oral	predicted	Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
503	Tents Or Canopies	Building & Construction	Not Available
507	Auxiliary Devices	Electrical & Electronic Equipment	Not Available
535	Superconducting Magnets And Superconducting Coils	Electrical & Electronic Equipment	Not Available
536	Superconductive Or Hyperconductive Conductors Cables Or Transmission Lines	Electrical & Electronic Equipment	Not Available
579	Manufacture Of Iron Or Steel	Industrial manufacturing & chemical processing	Not Available
638	Decorating Textiles	Textiles, leather & furnishings	Not Available

Pathways

0 pathways

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 1	P23141	Humans	Predicted (SEA)	70.7649
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	26.4687
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	447.088
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	6.46149
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	12.923
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	7.47353
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	8.48557
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	9.03051
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	1.40129
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	5.68299
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	442.651
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	16.1926
Click to view 3D structure	3-isopropylmalate dehydrogenase	Q5SIY4	Thermus thermophilus	Predicted (SEA)	0.622794
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	4568.66
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	6503.99
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	4326.31
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	5757.73
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	6764.47
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	5673.11
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	7592.32
Click to view 3D structure	Envelope phospholipase OPG057	P04021	Vaccinia virus (strain Western Reserve) (VACV) (Vaccinia virus (strainWR))	Predicted (SEA)	678.378
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	6953.88
Click to view 3D structure	Free fatty acid receptor 3	B2GV46	Rattus norvegicus	Predicted (SEA)	12.3002
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	5920.04
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	7249.24