Chem
J-GLOBAL ID：200907067125769230   Nikkaji number：J1.459.221K

(8aS)-2-[4-(Trifluoromethyl)phenyl]-2,3,8,8aα-tetrahydro-1H-2,3a-diaza-3-boracyclopenta[a]indene

(3aS)-2-[4-(トリフルオロメチル)フェニル]-1H,2H,3H,3aH,4H-[1,3,2]ジアザボロロ[1,5-a]インドール
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： C16H14BF3N2
Molecular formula furigana： C16-H14-B-F3-N2
Molecular weight： 302.110
InChI： InChI=1S/C16H14BF3N2/c18-16(19,20)12-5-7-13(8-6-12)21-10-14-9-11-3-1-2-4-15(11)22(14)17-21/h1-8,14,17H,9-10H2/t14-/m0/s1
InChI key： IUFTWSVKHMJMIX-AWEZNQCLSA-N
SMILES： FC(F)(F)c1ccc(cc1)N1BN2[C@H](C1)Cc1ccccc21
Systematic name  (3)：
  • (8aS)-2-[4-(トリフルオロメチル)フェニル]-2,3,8,8aα-テトラヒドロ-1H-2,3a-ジアザ-3-ボラシクロペンタ[a]インデン
  • (3aS)-2-[4-(トリフルオロメチル)フェニル]-1H,2H,3H,3aH,4H-[1,3,2]ジアザボロロ[1,5-a]インドール
  • (3aS)-2-[4-(trifluoromethyl)phenyl]-1H,2H,3H,3aH,4H-[1,3,2]diazaborolo[1,5-a]indole
Other name (1)：
  • (8aS)-2-[4-(Trifluoromethyl)phenyl]-2,3,8,8aα-tetrahydro-1H-2,3a-diaza-3-boracyclopenta[a]indene
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