trifluoroacetic acid (CHEBI:45892)

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ChEBI Name	trifluoroacetic acid

ChEBI ID	CHEBI:45892

Definition	A monocarboxylic acid that is the trifluoro derivative of acetic acid.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:27111

Supplier Information	No supplier information found for this compound.

Download	Molfile XML SDF

Wikipedia	License
Ethanol (also called ethyl alcohol, grain alcohol, drinking alcohol, or simply alcohol) is an organic compound with the chemical formula CH3CH2OH. It is an alcohol, with its formula also written as C2H5OH, C2H6O or EtOH, where Et stands for ethyl. Ethanol is a volatile, flammable, colorless liquid with a characteristic wine-like odor and pungent taste. As a psychoactive depressant, it is the active ingredient in alcoholic beverages, and the second most consumed drug globally behind caffeine. Ethanol is naturally produced by the fermentation process of sugars by yeasts or via petrochemical processes such as ethylene hydration. Historically it was used as a general anesthetic, and has modern medical applications as an antiseptic, disinfectant, solvent for some medications, and antidote for methanol poisoning and ethylene glycol poisoning. It is used as a chemical solvent and in the synthesis of organic compounds, and as a fuel source for lamps, stoves, and internal combustion engines. Ethanol also can be dehydrated to make ethylene, an important chemical feedstock. As of 2023, world production of ethanol fuel was 29,590,000,000 US gallons (112.0 gigalitres), coming mostly from the U.S. (51%) and Brazil (26%).
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Formula

C2HF3O2

Net Charge

Average Mass

114.02335

Monoisotopic Mass

113.99286

InChI

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

InChIKey

DTQVDTLACAAQTR-UHFFFAOYSA-N

SMILES

OC(=O)C(F)(F)F

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

Biological Role(s):	human xenobiotic metabolite Any human metabolite produced by metabolism of a xenobiotic compound in humans.

Application(s):	reagent A substance used in a chemical reaction to detect, measure, examine, or produce other substances.

ChEBI Ontology
Outgoing	trifluoroacetic acid (CHEBI:45892) has functional parent acetic acid (CHEBI:15366) trifluoroacetic acid (CHEBI:45892) has role human xenobiotic metabolite (CHEBI:76967) trifluoroacetic acid (CHEBI:45892) has role reagent (CHEBI:33893) trifluoroacetic acid (CHEBI:45892) is a fluoroalkanoic acid (CHEBI:35551) trifluoroacetic acid (CHEBI:45892) is conjugate acid of trifluoroacetate (CHEBI:27110)

Incoming	N,O-bis(trimethylsilyl)trifluoroacetamide (CHEBI:85067) has functional parent trifluoroacetic acid (CHEBI:45892) trifluoroacetamide (CHEBI:145723) has functional parent trifluoroacetic acid (CHEBI:45892) trifluoroacetyl chloride (CHEBI:29138) has functional parent trifluoroacetic acid (CHEBI:45892) trifluoroacetate (CHEBI:27110) is conjugate base of trifluoroacetic acid (CHEBI:45892) trifluoroacetyl group (CHEBI:45888) is substituent group from trifluoroacetic acid (CHEBI:45892)

IUPAC Name

trifluoroacetic acid

Last Modified

07 August 2024