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CHEBI:60707 - 3-[2-(trifluoromethyl)phenyl]propanoic acid

ChEBI IDCHEBI:60707
ChEBI Name3-[2-(trifluoromethyl)phenyl]propanoic acid
Stars
DefinitionA monocarboxylic acid comprising propionic acid having a 2-(trifluoromethyl)phenyl group at the 3-position.
Last Modified3 November 2014
Submitterzjosephs
DownloadsMolfile
FormulaC10H9F3O2
Net Charge0
Average Mass218.174
Monoisotopic Mass218.05546
SMILESO=C(O)CCc1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O2/c11-10(12,13)8-4-2-1-3-7(8)5-6-9(14)15/h1-4H,5-6H2,(H,14,15)
InChIKeyYTDVNFDGHHHPEE-UHFFFAOYSA-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)
3-[2-(trifluoromethyl)phenyl]propanoic acid (CHEBI:60707) has functional parent propionic acid (CHEBI:30768)
3-[2-(trifluoromethyl)phenyl]propanoic acid (CHEBI:60707) is a (trifluoromethyl)benzenes (CHEBI:83565)
3-[2-(trifluoromethyl)phenyl]propanoic acid (CHEBI:60707) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
3-[2-(trifluoromethyl)phenyl]propanoyl group (CHEBI:60679) is substituent group from 3-[2-(trifluoromethyl)phenyl]propanoic acid (CHEBI:60707)
IUPAC Name 
3-[2-(trifluoromethyl)phenyl]propanoic acid
Synonyms  Source
3-[2-(trifluoromethyl)phenyl]propionic acidChEBI
2-(trifluoromethyl)hydrocinnamic acidChEBI
Registry NumbersSources
Reaxys:8620814Reaxys
CAS:94022-99-8Reaxys