Molecule FYI-1014003

A

Molecule Summary:

ID: FYI-1014003
Names:
InChIKey: VKIRAAOKBORRDD-UHFFFAOYSA-N
SMILES: CNC3CC(c1ccc(F)cc1)C(c2ccc(F)cc2)C3

Received at FYIcenter.com on: 2025-02-15

Molecule ID: FYI-1014003 Edit

Molecule Structure InChIKey: VKIRAAOKBORRDD-UHFFFAOYSA-N

Molecule Structure SMILES String: CNC3CC(c1ccc(F)cc1)C(c2ccc(F)cc2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014003
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.4250    3.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    3.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    6.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    5.3470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    3.9470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.0470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1288    5.4776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.5180    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3655    7.7305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9961    7.4394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4199    4.1082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3795    3.1714    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6706    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0020    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0424    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7513    3.6756    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2471    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2931    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.9349    9.0094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3273    9.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
  2 18  1  0  0  0  0
 15 19  1  0  0  0  0
 10 20  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014003-3D
FYIcenter.com

 40 42  0  0  1  0  0  0  0  0999 V2000
    1.1141    0.1612   -0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5403    0.0151   -0.1815 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9329    0.6716    1.0588 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8474    2.1964    1.0552 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6888    2.6287    2.2789 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.8718    3.1086    3.4684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6211    2.5610    3.8009 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9345    2.9872    4.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4953    3.9593    5.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8442    4.3523    6.8571 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.7228    4.5277    5.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4071    4.1079    4.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6802    1.4361    2.5461 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6348    0.8119    3.9368 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8139   -0.2809    4.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7527   -0.7742    5.5671 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5212   -0.1842    6.5585 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4510   -0.6479    7.8130 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3605    0.8813    6.2658 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4209    1.3742    4.9601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4093    0.4491    1.3899 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8440   -0.4257   -1.3291 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8431    1.2029   -0.6402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5143   -0.2127    0.3896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0719    0.3866   -0.9676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3162    0.2691    1.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8183    2.5684    1.0690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3141    2.5913    0.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2813    3.4909    1.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1662    1.7839    3.1936 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0265    2.5557    5.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1441    5.2848    6.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3747    4.5515    4.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7069    1.8046    2.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1958   -0.7711    3.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1033   -1.6073    5.8128 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9563    1.3257    7.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0756    2.2174    4.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6468   -0.5928    1.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0315    0.7302    0.5278 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 21  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  2  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
$$$$

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2025-03-12, 820👍, 0💬