Chem
J-GLOBAL ID：201407075532995531   Nikkaji number：J3.250.249K

9-(Trifluoromethyl)-12-fluoro-2,3-[1,3]butadieno-6,7-(iminopropano)-4,5-dihydrooxepin-8,10-diene

9-(トリフルオロメチル)-12-フルオロ-2,3-[1,3]ブタジエノ-6,7-(イミノプロパノ)-4,5-ジヒドロオキセピン-8,10-ジエン
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： C14H9F4NO
Molecular formula furigana： C14-H9-F4-N-O
Molecular weight： 283.226
InChI： InChI=1S/C14H9F4NO/c15-10-2-1-3-12-9(10)4-5-11-13(20-12)6-8(7-19-11)14(16,17)18/h1-3,6-7H,4-5H2
InChI key： IUBXGZJLUWRSFB-UHFFFAOYSA-N
SMILES： Fc1cccc2Oc3cc(cnc3CCc12)C(F)(F)F
Systematic name  (3)：
  • 9-(トリフルオロメチル)-12-フルオロ-2,3-[1,3]ブタジエノ-6,7-(イミノプロパノ)-4,5-ジヒドロオキセピン-8,10-ジエン
  • 12-フルオロ-5-(トリフルオロメチル)-2-オキサ-7-アザトリシクロ[9.4.0.03,8]ペンタデカ-1(11),3,5,7,12,14-ヘキサエン
  • 12-fluoro-5-(trifluoromethyl)-2-oxa-7-azatricyclo[9.4.0.03,8]pentadeca-1(11),3,5,7,12,14-hexaene
Other name (1)：
  • 9-(Trifluoromethyl)-12-fluoro-2,3-[1,3]butadieno-6,7-(iminopropano)-4,5-dihydrooxepin-8,10-diene
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