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

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ChEBI Name 1,1,1,3,3,3-hexafluoropropan-2-ol
ChEBI ID CHEBI:63104
Definition An organofluorine compound formed by substitution of all the methyl protons in propan-2-ol by fluorine. It is a metabolite of inhalation anesthetic sevoflurane.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Vincent J Fazio
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Formula C3H2F6O
Net Charge 0
Average Mass 168.03780
Monoisotopic Mass 168.001
InChI InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
InChIKey BYEAHWXPCBROCE-UHFFFAOYSA-N
SMILES OC(C(F)(F)F)C(F)(F)F
Roles Classification
Biological Role(s): drug metabolite

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ChEBI Ontology
Outgoing 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 Sources
1,1,1,3,3,3-Hexafluoro-2-hydroxypropane NIST Chemistry WebBook
1,1,1,3,3,3-Hexafluoro-2-propanol ChemIDplus
1,1,1,3,3,3-Hexafluoroisopropanol ChemIDplus
1,1,1,3,3,3-Hexafluoroisopropyl alcohol ChemIDplus
2,2,2-Trifluoro-1-(trifluoromethyl)ethanol ChemIDplus
2H-Hexafluoroisopropanol ChemIDplus
Bis(trifluoromethyl)methanol ChemIDplus
Hexafluoro-2-propanol ChemIDplus
hexafluoroisopropanol SUBMITTER
hexafluoroisopropyl alcohol SUBMITTER
HFIP SUBMITTER
Manual Xrefs Databases
Hexafluoroisopropyl_alcohol Wikipedia
HMDB0060648 HMDB
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Registry Numbers Types Sources
1841007 Reaxys Registry Number Reaxys
920-66-1 CAS Registry Number ChemIDplus
920-66-1 CAS Registry Number SUBMITTER
920-66-1 CAS Registry Number NIST Chemistry WebBook
Citations Waiting for Citations Types Sources
12138006 PubMed citation Europe PMC
14979101 PubMed citation Europe PMC
Last Modified
26 June 2014