Chem
J-GLOBAL ID：200907002541024517   Nikkaji number：J1.076.379G

2-tert-Butyl-2-[4-(trifluoromethyl)phenyl]adamantane

2-tert-ブチル-2-[4-(トリフルオロメチル)フェニル]アダマンタン
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： C21H27F3
Molecular formula furigana： C21-H27-F3
Molecular weight： 336.442
InChI： InChI=1S/C21H27F3/c1-19(2,3)20(15-4-6-16(7-5-15)21(22,23)24)17-9-13-8-14(11-17)12-18(20)10-13/h4-7,13-14,17-18H,8-12H2,1-3H3/t13-,14+,17-,18+,20?
InChI key： BAMXKDNDFZHCSP-WYMLAICNSA-N
SMILES： CC(C)(C)C1([C@H]2C[C@@H]3C[C@@H](C[C@H]1C3)C2)c1ccc(cc1)C(F)(F)F
Systematic name  (3)：
  • 2-tert-ブチル-2-[4-(トリフルオロメチル)フェニル]アダマンタン
  • (1r,3r,5r,7r)-2-tert-ブチル-2-[4-(トリフルオロメチル)フェニル]アダマンタン
  • (1r,3r,5r,7r)-2-tert-butyl-2-[4-(trifluoromethyl)phenyl]adamantane
Other name (1)：
  • 2-tert-Butyl-2-[4-(trifluoromethyl)phenyl]adamantane
Thsaurus map：
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