CHEBI:30775 - fluoroacetic acid

ChEBI IDCHEBI:30775
ChEBI Namefluoroacetic acid
Stars
DefinitionA haloacetic acid that is acetic acid in which one of the methyl hydrogens is substituted by fluorine.
Secondary ChEBI IDsCHEBI:5114, CHEBI:24065
Last Modified5 May 2015
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC2H3FO2
Net Charge0
Average Mass78.042
Monoisotopic Mass78.01171
SMILESO=C(O)CF
InChIInChI=1S/C2H3FO2/c3-1-2(4)5/h1H2,(H,4,5)
InChIKeyQEWYKACRFQMRMB-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
EC 4.2.1.3 (aconitate hydratase) inhibitor  An EC 4.2.1.* (hydro-lyases) inhibitor that interferes with the function of aconitase (EC 4.2.1.3).
ChEBI Ontology
Outgoing Relation(s)
fluoroacetic acid (CHEBI:30775) has role EC 4.2.1.3 (aconitate hydratase) inhibitor (CHEBI:62608)
fluoroacetic acid (CHEBI:30775) is a haloacetic acid (CHEBI:16277)
fluoroacetic acid (CHEBI:30775) is a organofluorine compound (CHEBI:37143)
fluoroacetic acid (CHEBI:30775) is conjugate acid of fluoroacetate (CHEBI:18172)
Incoming Relation(s)
fluoroacetyl-CoA (CHEBI:61646) has functional parent fluoroacetic acid (CHEBI:30775)
fluoroacetate (CHEBI:18172) is conjugate base of fluoroacetic acid (CHEBI:30775)
IUPAC Name 
fluoroacetic acid
Synonyms  Source
acide-monofluoracetiqueChemIDplus
Cymonic acidKEGG COMPOUND
Fluoroacetic acidKEGG COMPOUND
Gifblaar poisonKEGG COMPOUND
HFAKEGG COMPOUND
MonofluoressigsaureChemIDplus
Manual XrefsDatabases
C00001196KNApSAcK
C06108KEGG COMPOUND
FAHPDBeChem
Fluoroacetic_acidWikipedia
Registry NumbersSources
Reaxys:1739053Reaxys
Gmelin:25730Gmelin
CAS:144-49-0KEGG COMPOUND
CAS:144-49-0ChemIDplus
CAS:144-49-0NIST Chemistry WebBook
Citations