Chem
J-GLOBAL ID：200907071068365036   Nikkaji number：J703.328A

2-[4-(2,2,3,3-Tetrafluoropropoxy)phenyl]-4-[(1R,2R)-1-methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl]-2H-1,2,4-triazol-3(4H)-one

2-[4-(2,2,3,3-テトラフルオロプロポキシ)フェニル]-4-[(1R,2R)-1-メチル-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-2H-1,2,4-トリアゾール-3(4H)-オン
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： C23H20F6N6O3
Molecular formula furigana： C23-H20-F6-N6-O3
Molecular weight： 542.442
InChI： InChI=1S/C23H20F6N6O3/c1-14(22(37,9-33-12-30-11-31-33)18-7-2-15(24)8-19(18)25)34-13-32-35(21(34)36)16-3-5-17(6-4-16)38-10-23(28,29)20(26)27/h2-8,11-14,20,37H,9-10H2,1H3/t14-,22-/m1/s1
InChI key： LFFCHTTXBPHATM-JLCFBVMHSA-N
SMILES： C[C@@H](n1cnn(c2ccc(OCC(F)(F)C(F)F)cc2)c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
Systematic name  (3)：
  • 2-[4-(2,2,3,3-テトラフルオロプロポキシ)フェニル]-4-[(1R,2R)-1-メチル-2-ヒドロキシ-2-(2,4-ジフルオロフェニル)-3-(1H-1,2,4-トリアゾール-1-イル)プロピル]-2H-1,2,4-トリアゾール-3(4H)-オン
  • 4-[(2R,3R)-3-(2,4-ジフルオロフェニル)-3-ヒドロキシ-4-(1H-1,2,4-トリアゾール-1-イル)ブタン-2-イル]-1-[4-(2,2,3,3-テトラフルオロプロポキシ)フェニル]-4,5-ジヒドロ-1H-1,2,4-トリアゾール-5-オン
  • 4-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl]-1-[4-(2,2,3,3-tetrafluoropropoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
Other name (1)：
  • 2-[4-(2,2,3,3-Tetrafluoropropoxy)phenyl]-4-[(1R,2R)-1-methyl-2-hydroxy-2-(2,4-difluorophenyl)-3-(1H-1,2,4-triazol-1-yl)propyl]-2H-1,2,4-triazol-3(4H)-one
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