Molecule FYI-1010732

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A

Molecule Summary:

ID: FYI-1010732
Names:
InChIKey: RMFFMDYERDZAMM-UHFFFAOYSA-N
SMILES: CC13CC2CC(N)(C1)CC(C(F)(F)F)(C2)C3

Received at FYIcenter.com on: 2024-07-08

Molecule ID: FYI-1010732 Edit

Molecule Structure InChIKey: RMFFMDYERDZAMM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC13CC2CC(N)(C1)CC(C(F)(F)F)(C2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010732
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.5255    3.5962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5203    3.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3595    3.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7835    2.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3233    0.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5203    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    2.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8193    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5856    4.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8608    3.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464    4.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0052    5.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7810    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4248    6.3668    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0106    5.9418    0.0000 F   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 12  2  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010732-3D
FYIcenter.com

 34 36  0  0  1  0  0  0  0  0999 V2000
    0.9072   -0.0342   -0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4394   -0.0285   -0.0729 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9742    0.8441    1.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5111    0.8476    1.0858 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0222    1.4090   -0.2508 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5125    0.5394   -1.4170 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0157    1.0697   -2.6811 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9695    0.5349   -1.4113 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0225   -0.9032   -1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5231   -1.4996    0.1090 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0375   -2.9396    0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7959   -3.3408   -0.7588 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7951   -3.0731    1.3982 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0214   -3.8264    0.3958 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0210   -0.5904    1.2602 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9735   -1.4677    0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5081    0.9783   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5159   -0.4348    0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5119   -0.6516   -0.8845 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6062    0.4657    2.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6026    1.8724    0.9870 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8757    1.4709    1.9094 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1204    1.4353   -0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6836    2.4470   -0.3669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6693    2.0182   -2.8267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6613    0.5174   -3.4618 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5896   -0.0695   -2.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5874    1.5536   -1.5640 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1213   -0.9184   -1.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6814   -1.5320   -2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1185   -0.5864    1.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6792   -0.9835    2.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5917   -1.8901    1.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5914   -2.1065   -0.7034 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
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  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
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-25, 1600👍, 0💬