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    CAS 455-14-1

    BUILDING BLOCK

    PharmaCompass
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    2D Structure
    Also known as: 455-14-1, 4-aminobenzotrifluoride, 4-trifluoromethylaniline, P-aminobenzotrifluoride, P-trifluoromethylaniline, Benzenamine, 4-(trifluoromethyl)-
    Molecular Formula
    C7H6F3N
    Molecular Weight
    161.12  g/mol
    InChI Key
    ODGIMMLDVSWADK-UHFFFAOYSA-N
    FDA UNII
    RQJ623MB8G
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-(trifluoromethyl)aniline
    2.1.2 InChI
    InChI=1S/C7H6F3N/c8-7(9,10)5-1-3-6(11)4-2-5/h1-4H,11H2
    2.1.3 InChI Key
    ODGIMMLDVSWADK-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=CC(=CC=C1C(F)(F)F)N
    2.2 Other Identifiers
    2.2.1 UNII
    RQJ623MB8G
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. 4-trifluoromethylaniline

    2. Para-trifluoromethylaniline

    2.3.2 Depositor-Supplied Synonyms

    1. 455-14-1

    2. 4-aminobenzotrifluoride

    3. 4-trifluoromethylaniline

    4. P-aminobenzotrifluoride

    5. P-trifluoromethylaniline

    6. Benzenamine, 4-(trifluoromethyl)-

    7. P-(trifluoromethyl)aniline

    8. 4-(trifluoromethyl)benzenamine

    9. Aniline, P-(trifluoromethyl)-

    10. Alpha,alpha,alpha-trifluoro-p-toluidine

    11. 4-trifluoromethyl-phenylamine

    12. Mfcd00064396

    13. Nsc 10337

    14. 1-amino-4-(trifluoromethyl)benzene

    15. Rqj623mb8g

    16. Leflunomide Related Compound A

    17. Chebi:40750

    18. Nsc-10337

    19. A,a,a-trifluoro-p-toluidine

    20. .alpha.,.alpha.,.alpha.-trifluoro-p-toluidine

    21. [4-(trifluoromethyl)phenyl]amine

    22. (4-(trifluoromethyl)phenyl)amine

    23. P-amino-alpha,alpha,alpha-trifluorotoluene

    24. Einecs 207-236-5

    25. Unii-rqj623mb8g

    26. Brn 1564853

    27. Leflunomide Impurity A

    28. 4-(trifluoromethyl)phenylamine

    29. 4-trifluormethylaniline

    30. 4-amino Benzotrifluoride

    31. 4-amino-benzotrifluoride

    32. 4-aminobenzotrifluororide

    33. Para-aminobenzotrifluoride

    34. 4-trifluoromethyl Aniline

    35. 4-trifluoromethyl-aniline

    36. Para-trifluoromethylaniline

    37. P-toluidine, Alpha,alpha,alpha-trifluoro-

    38. 4-trifluoro Methyl Aniline

    39. 4-tfma

    40. 4-trifluoromethylphenylamine

    41. Ec 207-236-5

    42. 4-(trifluoromethyl) Aniline

    43. 4-(trifluoromethyl)-aniline

    44. 4-trifluoromethyl Phenylamine

    45. Schembl10302

    46. 4-(trifluoro Methyl) Aniline

    47. 4-12-00-01982 (beilstein Handbook Reference)

    48. 4-trifluoromethyl Phenyl Amine

    49. 4-amino-a,a,a-trifluorotoluene

    50. 4-(trifluoromethyl)benzenaminium

    51. Chembl1162294

    52. Dtxsid5060013

    53. 4-(trifluoromethyl)aniline-[d4]

    54. 4-(trifluoromethyl)aniline, 99%

    55. Zinc164442

    56. Act00171

    57. Nsc10337

    58. [4- (trifluoromethyl)phenyl] Amine

    59. [4-(trifluoromethyl)-phenyl]-amine

    60. Ac-028

    61. Pc1040

    62. Stl164343

    63. Akos000119383

    64. .alpha.,.alpha.-trifluoro-p-anisidine

    65. .alpha.,.alpha.-trifluoro-p-toluidine

    66. Cs-w019629

    67. Ps-8765

    68. P-toluidine,.alpha.,.alpha.-trifluoro-

    69. P-amino-.alpha.,.alpha.-trifluorotoluene

    70. Teriflunomide Metabolite (4-tfma)

    71. A0662

    72. Am20060250

    73. Ft-0619541

    74. Leflunomide Impurity A [ep Impurity]

    75. En300-20241

    76. D77859

    77. Leflunomide Related Compound A [usp-rs]

    78. 4-aminobenzotrifluoride Hydrochloride (salt/mix)

    79. 4-amino-.alpha.,.alpha.,.alpha.-benzotrifluoride

    80. P-amino-.alpha.,.alpha.,.alpha.-trifluorotoluene

    81. P-toluidine, .alpha.,.alpha.,.alpha.-trifluoro-

    82. Q-200434

    83. Leflunomide Related Compound A [usp Impurity]

    84. Q27120406

    85. F2190-0436

    86. Leflunomide Impurity A, European Pharmacopoeia (ep) Reference Standard

    87. Leflunomide Related Compound A, United States Pharmacopeia (usp) Reference Standard

    88. 4-(trifluoromethyl)aniline (leflunomide Related Compound A), Pharmaceutical Secondary Standard; Certified Reference Material

    2.4 Create Date
    2005-03-26
    3 Chemical and Physical Properties
    Molecular Weight 161.12 g/mol
    Molecular Formula C7H6F3N
    XLogP32.4
    Hydrogen Bond Donor Count1
    Hydrogen Bond Acceptor Count4
    Rotatable Bond Count0
    Exact Mass161.04523368 g/mol
    Monoisotopic Mass161.04523368 g/mol
    Topological Polar Surface Area26 Ų
    Heavy Atom Count11
    Formal Charge0
    Complexity124
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1