183810-37-9 ((8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl) trifluoromethanesulfonate,8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl trifluoromethanesulfonate)

CAS号:
183810-37-9
中文名称:
(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl) trifluoromethanesulfonate
英文名称:
8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl trifluoromethanesulfonate
分子式:
C9H12F3NO3S
分子量:
271.256691932678

(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl) trifluoromethanesulfonate(183810-37-9)名称与标识符

名称

中文别名:
(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl) trifluoromethanesulfonate;
英文别名:
Methanesulfonic acid, 1,1,1-trifluoro-, 8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl ester;(-)-8-methyl-3-(trifluoromethylsulfonyloxy)-8-aza-bicyclo[3.2.1]oct-2-ene;SB15418;(-)-8-methyl-3-(trifluoromethylsulfonyloxy)-8-azabicyclo[3.2.1]oct-2-ene;3-trifluoromethanesulfonyloxy-8-methyl-8-azabicyclo [3.2.1]-oct-2-ene;3-trifluoromethanesulfonyloxy-8-methyl-8-azabicyclo[3.2.1]-oct-2-ene;3-trifluoromethanesulfonyloxy-8-methyl-8-azabicyclo[3.2.1]oct-2-ene;8-Methyl-;8-methyl-8-azabicyclo[3.2.1]oct-2-en-3-yl trifluoromethanesulfonate;

标识符

InChIKey:
KSPVFUJFLJBOLL-UHFFFAOYSA-N
Inchi:
1S/C9H12F3NO3S/c1-13-6-2-3-7(13)5-8(4-6)16-17(14,15)9(10,11)12/h4,6-7H,2-3,5H2,1H3
SMILES:
S(C(F)(F)F)(=O)(=O)OC1=CC2CCC(C1)N2C

(8-methyl-8-azabicyclo[3.2.1]oct-3-en-3-yl) trifluoromethanesulfonate(183810-37-9)物化性质

计算特性

  • 氢键供体数量 : 0
  • 氢键受体数量 : 7
  • 可旋转化学键数量 : 2
  • 重原子数量 : 17
  • 复杂度 : 437
  • 疏水参数计算参考值(XlogP) : 2
  • 拓扑分子极性表面积 : 55