Chem
J-GLOBAL ID：200907044645248810   Nikkaji number：J1.076.380K

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

1-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)20-11-13-8-14(12-20)10-16(9-13)18(20)15-4-6-17(7-5-15)21(22,23)24/h4-7,13-14,16,18H,8-12H2,1-3H3/t13-,14+,16-,18?,20-
InChI key： AKOKKCSXTBLWFZ-PJBCAFBESA-N
SMILES： CC(C)(C)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1c1ccc(cc1)C(F)(F)F)C2
Systematic name  (3)：
  • 1-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
  • (1s,3s,5R,7S)-1-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
  • (1s,3s,5R,7S)-1-tert-butyl-2-[4-(trifluoromethyl)phenyl]adamantane
Other name (1)：
  • 1-tert-Butyl-2-[4-(trifluoromethyl)phenyl]adamantane
Thsaurus map：
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