Molecule FYI-1007293

A

Molecule Summary:

ID: FYI-1007293
Names:
InChIKey: LYFDKLLZNKZFJB-UHFFFAOYSA-N
SMILES: O=N(=O)C12C3(C(F)(F)F)C4(N(=O)=O)C1(C(F)(F)F)C5(N(=O)=O)C2(C(F)(F)F)C3(N(=O)=O)C45C(F)(F)F

Received at FYIcenter.com on: 2024-02-15

Molecule ID: FYI-1007293 Edit

Molecule Structure InChIKey: LYFDKLLZNKZFJB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=N(=O)C12C3(C(F)(F)F)C4(N(=O)=O)C1(C(F)(F)F)C5(N(=O)=O)C2(C(F)(F)F)C3(N(=O)=O)C45C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1007293
FYIcenter.com

 36 40  0  0  0  0  0  0  0  0999 V2000
    4.1959    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1959    3.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    3.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6890    4.5721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1175    4.5445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1173    3.1485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7371    3.1771    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0417    5.5961    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4145    5.3215    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5930    6.9223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.4959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.7084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.2835    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7853    1.7779    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5977    1.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0211    1.1201    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1959    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4084    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5806    5.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8082    6.3948    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6600    4.7598    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.5012    6.5430    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1959    4.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1959    6.2959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9319    4.5599    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7959    4.8959    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1171    1.7485    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1169    0.3485    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0531    1.4127    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5171    1.7483    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7360    3.1640    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  1  1  0  0  0  0
  3  5  1  0  0  0  0
  2  6  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  5  8  1  0  0  0  0
  8  7  1  0  0  0  0
  4  8  1  0  0  0  0
  1  7  1  0  0  0  0
  6  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  2  0  0  0  0
  3 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  2  0  0  0  0
  8 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  2  0  0  0  0
  1 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  2  0  0  0  0
  5 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
  2 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 28  1  0  0  0  0
  7 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
  4 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007293-3D
FYIcenter.com

 36 40  0  0  1  0  0  0  0  0999 V2000
    2.9058    1.1587   -0.1621 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2243    0.1678    0.0820 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0073    0.0616   -0.0409 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9077   -0.9556    0.7108 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0507   -0.9699    2.2507 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6510    0.1303    3.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8680    1.0181    2.5431 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.9946   -0.3473    4.2398 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7319    0.7854    3.6266 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5139   -1.4278    2.0476 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5735   -0.8198    2.8430 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7457   -1.2890    3.9682 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1243    0.1852    2.3814 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3835   -1.3638    0.5119 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.3626   -0.8883   -0.5121 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8427    0.0884   -1.2645 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4974   -0.4602    0.0525 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6949   -1.8887   -1.3463 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9403   -2.8392    0.5320 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.4383   -3.8281   -0.4116 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4811   -4.3985   -0.1008 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8335   -3.9153   -1.4780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4180   -2.4071    0.6701 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.2563   -3.0194   -0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8959   -2.3099   -1.0857 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5508   -4.2735   -0.3950 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2069   -3.0974    0.8310 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6106   -2.4303    2.2511 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5965   -3.0551    3.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6866   -4.2746    3.2006 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6840   -2.3367    3.4889 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1224   -2.9145    2.1101 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7626   -4.0005    2.8903 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0643   -3.7259    3.0687 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1751   -4.1154    4.0919 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6524   -5.1675    2.2388 F   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  2  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 23  1  0  0  0  0
 19 32  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  2  0  0  0  0
 23 24  1  0  0  0  0
 23 28  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
 28 29  1  0  0  0  0
 28 32  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33 36  1  0  0  0  0
M  END
$$$$

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2024-03-23, 435👍, 0💬