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    Technical details about CAS 920-66-1, learn more about the structure, uses, toxicity, action, side effects and more

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    CAS 920-66-1

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 920-66-1, Hexafluoroisopropanol, 1,1,1,3,3,3-hexafluoropropan-2-ol, Hfip, Hexafluoro-2-propanol, Hexafluoroisopropyl alcohol
    Molecular Formula
    C3H2F6O
    Molecular Weight
    168.04  g/mol
    InChI Key
    BYEAHWXPCBROCE-UHFFFAOYSA-N
    FDA UNII
    3D632GYQ50
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    1,1,1,3,3,3-hexafluoropropan-2-ol
    2.1.2 InChI
    InChI=1S/C3H2F6O/c4-2(5,6)1(10)3(7,8)9/h1,10H
    2.1.3 InChI Key
    BYEAHWXPCBROCE-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C(C(F)(F)F)(C(F)(F)F)O
    2.2 Other Identifiers
    2.2.1 UNII
    3D632GYQ50
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 1,1,1,3,3,3-hexafluoroisopropanol

    2. Hexafluoro-2-propanol

    3. Hexafluoroisopropanol

    4. Hexafluoropropanol

    2.3.2 Depositor-Supplied Synonyms

    1. 920-66-1

    2. Hexafluoroisopropanol

    3. 1,1,1,3,3,3-hexafluoropropan-2-ol

    4. Hfip

    5. Hexafluoro-2-propanol

    6. Hexafluoroisopropyl Alcohol

    7. Bis(trifluoromethyl)methanol

    8. 1,1,1,3,3,3-hexafluoroisopropanol

    9. 2h-hexafluoroisopropanol

    10. 1,1,1,3,3,3-hexafluoroisopropyl Alcohol

    11. 2-propanol, 1,1,1,3,3,3-hexafluoro-

    12. 2,2,2-trifluoro-1-(trifluoromethyl)ethanol

    13. 1,1,1,3,3,3-hexafluoropropanol

    14. Nsc 96336

    15. Ethanol, 2,2,2-trifluoro-1-(trifluoromethyl)-

    16. 2h-hexafluoro-2-propanol

    17. Mfcd00011651

    18. 1,1,1,3,3,3-hexafluoro-propan-2-ol

    19. Sevoflurane Related Compound C

    20. 1,1,1,3,3,3-hexafluoro-2-hydroxypropane

    21. Chebi:63104

    22. 1,1,1,3,3,3-hexafluoro-isopropanol

    23. 3d632gyq50

    24. 1,1,1,3,3,3-hexafluoroisopropane

    25. Hexafluoro Isopropanol

    26. Nsc-96336

    27. 1 1 1 3 3 3-hexafluoroisopropanol

    28. 1,1,1,3,3,3-hexafluoropropanol-2

    29. 1,1,1,3,3,3-hexafluoro Propan-2-ol

    30. Ccris 6043

    31. 2h-perfluoro-2-propanol

    32. Einecs 213-059-4

    33. Brn 1841007

    34. Unii-3d632gyq50

    35. Ai3-29336

    36. Hexafluorisopropanol

    37. Cfh

    38. Wln: Fxffyqxfff

    39. .hfip

    40. Hexafluoro-2-propanol, 1,1,1,3,3,3-

    41. Schembl199

    42. Cf3ch(oh)cf3

    43. Ec 213-059-4

    44. (cf3)2choh

    45. Nciopen2_001854

    46. Chembl1231750

    47. Dtxsid1022134

    48. 2-propanol,hexafluoro-(8ci,9ci)

    49. 1,1,3,3,3-hexafluoroisopropanol

    50. Bcp05614

    51. Nsc96336

    52. Zinc3860857

    53. 1,1,3,3,3-hexafluoro-2-propanol

    54. Akos003791253

    55. 1,1,1,3,3,3-hexafluoro Isopropanol

    56. 2-propanol,1,1,3,3,3-hexafluoro-

    57. 1,1,3,3,3-hexafluoroisopropyl Alcohol

    58. 2,2-trifluoro-1-(trifluoromethyl)ethanol

    59. As-19154

    60. Bp-21416

    61. Cs-0017220

    62. Ethanol,2,2-trifluoro-1-(trifluoromethyl)-

    63. Ft-0605913

    64. Ft-0690752

    65. H0424

    66. H1793

    67. Sevoflurane Impurity C [ep Impurity]

    68. Sevoflurane Related Compound C [usp-rs]

    69. 1,1,1,3,3,3-hexafluoro-2-propanol, >=99%

    70. Sr-01000944926

    71. 1,1,1,3,3,3-hexafluoropropan-2-ol [for Hplc]

    72. Q-101270

    73. Q1123466

    74. Sr-01000944926-1

    75. 1,1,1,3,3,3-hexafluoro-2-propanol (peptide Grade)

    76. 1,1,1,3,3,3-hexafluoro-2-propanol, >=99.5%

    77. F9994-0607

    78. 1,1,1,3,3,3-hexafluoro-2-propanol High Purity Grade 99.95+%

    79. 1,1,1,3,3,3-hexafluoro-2-propanol, Puriss., >=99.0% (gc)

    80. 1,1,1,3,3,3-hexafluoro-2-propanol Glass Distilled, Derivatization Grade

    81. 1,1,1,3,3,3-hexafluoro-2-propanol, For Gc Derivatization, >=99.8%

    82. Sevoflurane Related Compound C, United States Pharmacopeia (usp) Reference Standard

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 168.04 g/mol
    Molecular Formula C3H2F6O
    XLogP31.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count7
    Rotatable Bond Count0
    Exact Mass168.00098366 g/mol
    Monoisotopic Mass168.00098366 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity97.1
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 Metabolism/Metabolites

    Hexafluoroisopropanol has known human metabolites that include (2S,3S,4S,5R)-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3,4,5-trihydroxyoxane-2-carboxylic acid.

    S73 | METXBIODB | Metabolite Reaction Database from BioTransformer | DOI:10.5281/zenodo.4056560