Molecule FYI-1016622

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A

Molecule Summary:

ID: FYI-1016622
Names:
InChIKey: YEOCETWMTRRBTA-UHFFFAOYSA-N
SMILES: OC(c2ccc(c1cccs1)s2)C(F)(F)F

Received at FYIcenter.com on: 2026-02-02

Molecule ID: FYI-1016622 Edit

Molecule Structure InChIKey: YEOCETWMTRRBTA-UHFFFAOYSA-N

Molecule Structure SMILES String: OC(c2ccc(c1cccs1)s2)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1016622
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    2.1672    8.4016    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5366    8.6926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2366    7.4802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2998    6.4399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5909    5.0704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8699    4.5010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7235    3.1087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3541    2.8176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    1.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6075    0.4060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460    2.7846    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2459    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5387    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6541    4.0301    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0209    7.0093    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15  8  1  0  0  0  0
 15  5  1  0  0  0  0
 16  4  1  0  0  0  0
 16  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016622-3D
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
    1.6504    0.7756   -1.0093 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3210   -0.0299   -0.0212 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7802   -1.2680   -0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5923   -1.3549   -1.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8060   -2.7017   -2.2685 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1496   -3.6208   -1.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1537   -5.0628   -1.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9207   -6.0087   -0.6125 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0415   -7.3483   -1.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3461   -7.3913   -2.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4830   -5.8291   -3.1030 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.2762   -2.8188   -0.2252 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.4683    0.7184    0.7092 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5702    2.0115    0.3179 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2463    0.7303    2.0491 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6844    0.1546    0.5202 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692    0.2134   -1.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5584   -0.2803    0.7258 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0254   -0.4928   -2.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4295   -2.9770   -3.1118 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6935   -5.7608    0.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9157   -8.2330   -0.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4975   -8.2655   -3.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  2  0  0  0  0
  3 12  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8  9  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 468👍, 0💬