Molecule Editor

Molecule ID: FYI-1016248 Edit

Molecule Structure InChIKey: GRYOPPPNUFYJSX-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc1cc(Br)c(F)c(C(F)(F)F)c1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016248
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 Br  0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  3  7  1  0  0  0  0
  2  8  1  0  0  0  0
  1  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016248-3D
FYIcenter.com

 22 22  0     0  0  0  0  0  0999 V2000
    0.1639    3.6859   -0.0690 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -2.1767    1.7088   -0.1947 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0474   -2.4429    0.0525 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1469   -0.7901    0.9397 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9284   -0.9111   -1.2146 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6067   -0.9159    0.4365 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9808   -0.3180    0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4226   -0.2630    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2328   -0.9867    0.2015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0046    1.0744   -0.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3987    1.1294    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1852    1.7980    0.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2503   -1.0967   -0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7663   -0.2986   -0.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7588   -1.3737   -0.5089 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2677   -2.0712    0.2658 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3086    1.7169    0.2881 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5295    0.2723   -1.0271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2141    0.3663    0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0316   -1.9792    0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3207   -2.0554   -1.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6671   -0.9343   -0.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4 13  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  2  0  0  0  0
  8 11  1  0  0  0  0
  9 16  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  2  0  0  0  0
 11 17  1  0  0  0  0
 14 15  1  0  0  0  0
 14 18  1  0  0  0  0
 14 19  1  0  0  0  0
 15 20  1  0  0  0  0
 15 21  1  0  0  0  0
 15 22  1  0  0  0  0
M  END
$$$$