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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E)-4-(trifluoromethyl)cinnamic acid
ChEBI ID CHEBI:60705
ChEBI ASCII Name (E)-4-(trifluoromethyl)cinnamic acid
Definition A member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the para-position.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C10H7F3O2
Net Charge 0
Average Mass 216.15660
Monoisotopic Mass 216.03981
InChI InChI=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+
InChIKey ANRMAUMHJREENI-ZZXKWVIFSA-N
SMILES OC(=O)\C=C\c1ccc(cc1)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 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(2E)-3-(4-trifluoromethylphenyl)acrylic acid ChEBI
(E)-3-[4'-(trifluoromethyl)phenyl]-2-propenoic acid ChEBI
p-(trifluoromethyl)cinnamic acid ChEBI
para-(trifluoromethyl)cinnamic acid ChEBI
trans-4-trifluoromethylcinnamic acid ChEBI
Registry Number Type Source
2452800 Reaxys Registry Number Reaxys
Last Modified
03 November 2014