EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:42330 - 2,2,2-trifluoroethanol

ChEBI IDCHEBI:42330
ChEBI Name2,2,2-trifluoroethanol
Stars
Secondary ChEBI IDsCHEBI:30090, CHEBI:42324
Last Modified17 October 2009
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC2H3F3O
Net Charge0
Average Mass100.039
Monoisotopic Mass100.01360
SMILESOCC(F)(F)F
InChIInChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
InChIKeyRHQDFWAXVIIEBN-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2,2,2-trifluoroethanol (CHEBI:42330) has functional parent ethanol (CHEBI:16236)
2,2,2-trifluoroethanol (CHEBI:42330) is a fluoroalcohol (CHEBI:47852)
IUPAC Name 
2,2,2-trifluoroethanol
Synonyms  Source
TRIFLUOROETHANOLPDBeChem
β,β,β-trifluoroethyl alcoholNIST Chemistry WebBook
CF3CH2OHChEBI
2,2,2-trifluoroethyl alcoholChemIDplus
TFEChemIDplus
Manual XrefsDatabases
ETFPDBeChem
DB03226DrugBank
Registry NumbersSources
Gmelin:2532Gmelin
Beilstein:1733203Beilstein
CAS:75-89-8ChemIDplus
CAS:75-89-8NIST Chemistry WebBook