CHEBI:193050 - trifluoroacetic acid-d1

ChEBI IDCHEBI:193050
ChEBI Nametrifluoroacetic acid-d1
Stars
Last Modified18 October 2023
SubmitterJohannes Hunold (ORCID: 0000-0002-4378-6061)
DownloadsMolfile
FormulaC2DF3O2
Net Charge0
Average Mass115.028
Monoisotopic Mass114.99914
SMILES[2H]OC(=O)C(F)(F)F
InChIInChI=1S/C2HF3O2/c3-2(4,5)1(6)7/h(H,6,7)/i/hD
InChIKeyDTQVDTLACAAQTR-DYCDLGHISA-N
Roles Classification
Chemical Roles:
NMR solvent  A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Application:
NMR solvent  A solvent used in nuclear magnetic resonance (NMR) spectroscopy.
ChEBI Ontology
Outgoing Relation(s)
trifluoroacetic acid-d1 (CHEBI:193050) has role NMR solvent (CHEBI:197449)
trifluoroacetic acid-d1 (CHEBI:193050) is a deuterated compound (CHEBI:76107)
trifluoroacetic acid-d1 (CHEBI:193050) is a fluoroalkanoic acid (CHEBI:35551)
IUPAC Name 
deuterio 2,2,2-trifluoroacetate
Synonyms  Source
trifluoroacetic acid-dSUBMITTER
deuterotrifluoroacetic acidSUBMITTER
TFA-dSUBMITTER
deuterated trifluoroacetic acidSUBMITTER
CF3COODSUBMITTER
Registry NumbersSources
CAS:599-00-8SUBMITTER