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    CAS 78573-45-2

    BUILDING BLOCK

    PharmaCompass
    Xls

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    2D Structure
    Also known as: 78573-45-2, 3-[3-(trifluoromethyl)phenyl]propan-1-ol, 3-(3'-trifluoromethyl phenyl) propanol, 3-[3-(trifluoromethyl)phenyl]-1-propanol, 3-(3-trifluoromethyl-phenyl)-propan-1-ol, 3-(trifluoromethyl)benzenepropanol
    Molecular Formula
    C10H11F3O
    Molecular Weight
    204.19  g/mol
    InChI Key
    QWXKQVIMGVVIBX-UHFFFAOYSA-N
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    3-[3-(trifluoromethyl)phenyl]propan-1-ol
    2.1.2 InChI
    InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2
    2.1.3 InChI Key
    QWXKQVIMGVVIBX-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC(=C1)C(F)(F)F)CCCO
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 78573-45-2

    2. 3-[3-(trifluoromethyl)phenyl]propan-1-ol

    3. 3-(3'-trifluoromethyl Phenyl) Propanol

    4. 3-[3-(trifluoromethyl)phenyl]-1-propanol

    5. 3-(3-trifluoromethyl-phenyl)-propan-1-ol

    6. 3-(trifluoromethyl)benzenepropanol

    7. Benzenepropanol, 3-(trifluoromethyl)-

    8. 3-[3-(trifluoromethyl)phenyl]propanol

    9. Mfcd08706408

    10. 3-(3'-trifluoromethylphenyl)propanol

    11. Schembl81305

    12. Chebi:48528

    13. Dtxsid10595957

    14. 3-(3-trifluoromethylphenyl)propanol

    15. Amy31446

    16. Bcp12311

    17. Cs-m0619

    18. Zinc22008403

    19. Akos011896864

    20. Sb38757

    21. 3-(3-trifluoromethylphenyl)-1-propanol

    22. 3-(3-trifluoromethylphenyl)propan-1-ol

    23. Ac-29726

    24. Ds-12921

    25. Sy029878

    26. Ft-0649412

    27. T3095

    28. A26168

    29. 573t452

    30. J-510631

    31. Q27121255

    32. 3-(3-(trifluoromethyl)phenyl)propan-1-ol;3-[3-(trifluoromethyl)phenyl]-1-propanol

    2.3 Create Date
    2007-12-04
    3 Chemical and Physical Properties
    Molecular Weight 204.19 g/mol
    Molecular Formula C10H11F3O
    XLogP32.7
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count3
    Exact Mass204.07619946 g/mol
    Monoisotopic Mass204.07619946 g/mol
    Topological Polar Surface Area20.2 Ų
    Heavy Atom Count14
    Formal Charge0
    Complexity167
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1