Chem
J-GLOBAL ID：200907096124838107   Nikkaji number：J984.229B

[(1S,3R,4R)-2-Azabicyclo[2.2.1]heptane-3-yl]bis[4-(trifluoromethyl)phenyl]methanol

[(1S,3R,4R)-2-アザビシクロ[2.2.1]ヘプタン-3-イル]ビス[4-(トリフルオロメチル)フェニル]メタノール
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C21H19F6NO
Molecular formula furigana： C21-H19-F6-N-O
Molecular weight： 415.379
InChI： InChI=1S/C21H19F6NO/c22-20(23,24)15-6-2-13(3-7-15)19(29,18-12-1-10-17(11-12)28-18)14-4-8-16(9-5-14)21(25,26)27/h2-9,12,17-18,28-29H,1,10-11H2/t12-,17+,18-/m1/s1
InChI key： BCKNKZHTPPVLCK-OCBCSQNSSA-N
SMILES： OC([C@@H]1N[C@H]2CC[C@@H]1C2)(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
Systematic name  (2)：
  • [(1S,3R,4R)-2-アザビシクロ[2.2.1]ヘプタン-3-イル]ビス[4-(トリフルオロメチル)フェニル]メタノール
  • [(1S,3R,4R)-2-azabicyclo[2.2.1]heptan-3-yl]bis[4-(trifluoromethyl)phenyl]methanol
Other name (1)：
  • [(1S,3R,4R)-2-Azabicyclo[2.2.1]heptane-3-yl]bis[4-(trifluoromethyl)phenyl]methanol
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