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CHEBI:60705 - (E)-4-(trifluoromethyl)cinnamic acid

ChEBI IDCHEBI:60705
ChEBI Name(E)-4-(trifluoromethyl)cinnamic acid
Stars
ASCII Name(E)-4-(trifluoromethyl)cinnamic acid
DefinitionA member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the para-position.
Last Modified3 November 2014
Submitterzjosephs
DownloadsMolfile
FormulaC10H7F3O2
Net Charge0
Average Mass216.158
Monoisotopic Mass216.03981
SMILESO=C(O)/C=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+
InChIKeyANRMAUMHJREENI-ZZXKWVIFSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(E)-4-(trifluoromethyl)cinnamic acid (CHEBI:60705) has functional parent trans-cinnamic acid (CHEBI:35697)
(E)-4-(trifluoromethyl)cinnamic acid (CHEBI:60705) is a (trifluoromethyl)benzenes (CHEBI:83565)
(E)-4-(trifluoromethyl)cinnamic acid (CHEBI:60705) is a cinnamic acids (CHEBI:23252)
Incoming Relation(s)
(E)-4-(trifluoromethyl)cinnamoyl group (CHEBI:60674) is substituent group from (E)-4-(trifluoromethyl)cinnamic acid (CHEBI:60705)
IUPAC Name 
(2E)-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
Synonyms  Source
trans-4-trifluoromethylcinnamic acidChEBI
(E)-3-[4'-(trifluoromethyl)phenyl]-2-propenoic acidChEBI
p-(trifluoromethyl)cinnamic acidChEBI
para-(trifluoromethyl)cinnamic acidChEBI
(2E)-3-(4-trifluoromethylphenyl)acrylic acidChEBI
Registry NumbersSources
Reaxys:2452800Reaxys