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 Fazio Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C3H2F6O Net Charge 0 Average Mass 168.03780 Monoisotopic Mass 168.00098 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 View more via ChEBI Ontology 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 View more database links 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 Types Sources 12138006 PubMed citation Europe PMC 14979101 PubMed citation Europe PMC Last Modified 26 June 2014