Chem
J-GLOBAL ID：200907034345280474   Nikkaji number：J1.978.281F

(3Z)-1-Phenyl-3-(trifluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-3-octene-1-yne

(3Z)-1-フェニル-3-(トリフルオロメチル)-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-3-オクテン-1-イン
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： C21H26BF3O2
Molecular formula furigana： C21-H26-B-F3-O2
Molecular weight： 378.240
InChI： InChI=1S/C21H26BF3O2/c1-6-7-13-18(22-26-19(2,3)20(4,5)27-22)17(21(23,24)25)15-14-16-11-9-8-10-12-16/h8-12H,6-7,13H2,1-5H3/b18-17+
InChI key： AJHWVUHLQHLCGI-ISLYRVAYSA-N
SMILES： CCCC/C(=C(/C#Cc1ccccc1)\C(F)(F)F)/B1OC(C)(C)C(C)(C)O1
Systematic name  (3)：
  • (3Z)-1-フェニル-3-(トリフルオロメチル)-4-(4,4,5,5-テトラメチル-1,3,2-ジオキサボロラン-2-イル)-3-オクテン-1-イン
  • 4,4,5,5-テトラメチル-2-[(3Z)-1-フェニル-3-(トリフルオロメチル)オクタ-3-エン-1-イン-4-イル]-1,3,2-ジオキサボロラン
  • 4,4,5,5-tetramethyl-2-[(3Z)-1-phenyl-3-(trifluoromethyl)oct-3-en-1-yn-4-yl]-1,3,2-dioxaborolane
Other name (1)：
  • (3Z)-1-Phenyl-3-(trifluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-3-octene-1-yne
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