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CHEBI:60704 - (E)-3-(trifluoromethyl)cinnamic acid

Default Structure
ChEBI IDCHEBI:60704
ChEBI Name(E)-3-(trifluoromethyl)cinnamic acid
Stars
ASCII Name(E)-3-(trifluoromethyl)cinnamic acid
DefinitionA member of the class of (trifluoromethyl)benzenes consisting of trans-cinnamic acid having a trifluoromethyl substituent at the meta-position.
Last Modified3 November 2014
Submitterzjosephs
DownloadsMolfile
FormulaC10H7F3O2
Net Charge0
Average Mass216.158
Monoisotopic Mass216.03981
SMILESO=C(O)/C=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H7F3O2/c11-10(12,13)8-3-1-2-7(6-8)4-5-9(14)15/h1-6H,(H,14,15)/b5-4+
InChIKeyKSBWHDDGWSYETA-SNAWJCMRSA-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)-3-(trifluoromethyl)cinnamic acid (CHEBI:60704) has functional parent trans-cinnamic acid (CHEBI:35697)
(E)-3-(trifluoromethyl)cinnamic acid (CHEBI:60704) is a (trifluoromethyl)benzenes (CHEBI:83565)
(E)-3-(trifluoromethyl)cinnamic acid (CHEBI:60704) is a cinnamic acids (CHEBI:23252)
(E)-3-(trifluoromethyl)cinnamic acid (CHEBI:60704) is a styrenes (CHEBI:26799)
Incoming Relation(s)
(E)-3-(trifluoromethyl)cinnamoyl group (CHEBI:60673) is substituent group from (E)-3-(trifluoromethyl)cinnamic acid (CHEBI:60704)
IUPAC Name 
(2E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoic acid
Synonyms  Source
m-(trifluoromethyl)cinnamic acidChemIDplus
meta-(trifluoromethyl)cinnamic acidChEBI
trans-3-trifluoromethylcinnamic acidChEBI
(E)-3-trifluoromethylcinnamic acidChEBI
(E)-m-(trifluoromethyl)cinnamic acidChemIDplus
Registry NumbersSources
Reaxys:2504993Reaxys
CAS:67801-07-4ChemIDplus