Molecule FYI-1016437

A

Molecule Summary:

ID: FYI-1016437
Names:
InChIKey: YUVKUEAFAVKILW-UHFFFAOYSA-N
SMILES: CC(Oc2ccc(Oc1ccc(C(F)(F)F)cn1)cc2)C(=O)O

Received at FYIcenter.com on: 2026-01-07

Molecule ID: FYI-1016437 Edit

Molecule Structure InChIKey: YUVKUEAFAVKILW-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(Oc2ccc(Oc1ccc(C(F)(F)F)cn1)cc2)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1016437
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6368    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.0368    1.5876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19  7  1  0  0  0  0
 20 19  2  0  0  0  0
 20  4  1  0  0  0  0
 21  2  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016437-3D
FYIcenter.com

 35 36  0     1  0  0  0  0  0999 V2000
   -6.3598   -0.8543    0.2117 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2293   -1.9514   -1.2789 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9792   -2.4161    0.8307 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1545    0.2792   -0.6885 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8921    2.2556    0.3151 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7206   -2.4334    1.0863 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0798   -0.1925    1.1254 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6555    0.1017   -0.0897 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3898   -1.0919   -0.3713 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9085    0.7673   -0.4404 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3546    1.7687    0.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1415    1.2842   -1.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3984    0.7511    0.8579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8646    1.7849   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1214    1.2518    1.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8031   -1.8045   -1.6472 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9559    1.3731    0.2320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0195   -0.3817    0.0602 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2773    0.9444    0.3894 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2256    1.8496    0.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4820   -1.1613    0.6753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7031   -0.7492   -0.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1213   -1.3754   -0.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4928   -1.5719    0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5336    1.2989   -2.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9873    0.3608    1.6834 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2733    2.1866   -2.0493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7316    1.2386    2.1260 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7181   -1.3659   -2.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0268   -1.7043   -2.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9863   -2.8694   -1.4739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2901    1.2887    0.5789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4068    2.8875    0.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4406   -1.7699   -0.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4226   -2.4709    1.7704 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 17  1  0  0  0  0
  6 21  1  0  0  0  0
  6 35  1  0  0  0  0
  7 21  2  0  0  0  0
  8 17  2  0  0  0  0
  8 22  1  0  0  0  0
  9 16  1  0  0  0  0
  9 21  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  2  0  0  0  0
 11 15  1  0  0  0  0
 12 14  1  0  0  0  0
 12 25  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 20  2  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
 22 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-02-02, 657👍, 0💬