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CHEBI:63104 - 1,1,1,3,3,3-hexafluoropropan-2-ol

ChEBI IDCHEBI:63104
ChEBI Name1,1,1,3,3,3-hexafluoropropan-2-ol
Stars
DefinitionAn organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane.
Last Modified26 June 2014
SubmitterVincent Fazio
DownloadsMolfile
FormulaC3H2F6O
Net Charge0
Average Mass168.036
Monoisotopic Mass168.00098
SMILESOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
InChIKeyBYEAHWXPCBROCE-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
ChEBI Ontology
Outgoing Relation(s)
1,1,1,3,3,3-hexafluoropropan-2-ol (CHEBI:63104) has functional parent propan-2-ol (CHEBI:17824)
1,1,1,3,3,3-hexafluoropropan-2-ol (CHEBI:63104) has role drug metabolite (CHEBI:49103)
1,1,1,3,3,3-hexafluoropropan-2-ol (CHEBI:63104) is a organofluorine compound (CHEBI:37143)
1,1,1,3,3,3-hexafluoropropan-2-ol (CHEBI:63104) is a secondary alcohol (CHEBI:35681)
IUPAC Name 
1,1,1,3,3,3-hexafluoropropan-2-ol
Synonyms  Source
hexafluoroisopropanolSUBMITTER
hexafluoroisopropyl alcoholSUBMITTER
HFIPSUBMITTER
2H-HexafluoroisopropanolChemIDplus
1,1,1,3,3,3-HexafluoroisopropanolChemIDplus
1,1,1,3,3,3-Hexafluoroisopropyl alcoholChemIDplus
Manual XrefsDatabases
Hexafluoroisopropyl_alcoholWikipedia
HMDB0060648HMDB
Registry NumbersSources
Reaxys:1841007Reaxys
CAS:920-66-1SUBMITTER
CAS:920-66-1ChemIDplus
CAS:920-66-1NIST Chemistry WebBook
Citations