CHEBI:45892 - trifluoroacetic acid

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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
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Formula C2HF3O2
Net Charge 0
Average Mass 114.02335
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.
View more via ChEBI Ontology
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 monocarboxylic acid (CHEBI:25384)
trifluoroacetic acid (CHEBI:45892) is a organofluorine compound (CHEBI:37143)
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)
N-(tert-butyldimethylsilyl)-N-methyltrifluoroacetamide (CHEBI:85060) has functional parent trifluoroacetic acid (CHEBI:45892)
N-methyl-N-(trimethylsilyl)trifluoroacetamide (CHEBI:85064) 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
Synonyms Sources
acide trifluoroacétique ChEBI
CF3COOH NIST Chemistry WebBook
perfluoroacetic acid NIST Chemistry WebBook
Trifluoressigsäure ChEBI
Database Links Databases
HMDB14118 HMDB
Trifluoroacetic_acid Wikipedia
View more database links
Registry Numbers Types Sources
2729 Gmelin Registry Number Gmelin
742035 Reaxys Registry Number Reaxys
742035 Beilstein Registry Number Beilstein
76-05-1 CAS Registry Number ChemIDplus
76-05-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
11498800 PubMed citation CiteXplore
7696372 PubMed citation CiteXplore
Last Modified
25 March 2015