Molecule FYI-1013944

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A

Molecule Summary:

ID: FYI-1013944
Names:
InChIKey: DAULOIZCLAFUHV-UHFFFAOYSA-N
SMILES: CC(C)(C)NC(=O)c1ccc(OC(F)(F)F)cc1

Received at FYIcenter.com on: 2025-02-13

Molecule ID: FYI-1013944 Edit

Molecule Structure InChIKey: DAULOIZCLAFUHV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)NC(=O)c1ccc(OC(F)(F)F)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1013944
FYIcenter.com

 18 18  0  0  0  0  0  0  0  0999 V2000
    7.9747    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3747    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  1  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013944-3D
FYIcenter.com

 32 32  0     0  0  0  0  0  0999 V2000
    5.3746   -0.3097    0.7078 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4732   -1.3678    0.9101 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4650   -1.2183   -1.0594 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7095    1.7339   -0.2659 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5247    0.6582   -0.1501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7110   -0.5550    0.1011 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1534   -0.7183    0.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4933   -2.2073    0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7324    0.0537    1.3064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7389   -0.1720   -1.1911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1112    0.6755   -0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6257    0.6706   -0.1068 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791    1.8149    0.2670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0645   -0.4778   -0.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4738    1.8108    0.2525 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591   -0.4819   -0.5093 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1638    0.6624   -0.1358 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1977   -0.5717    0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0776   -2.7825   -0.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0768   -2.6277    1.1712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5765   -2.3710    0.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5831    1.1350    1.2279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2720   -0.2708    2.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8124   -0.1140    1.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6750    0.9162   -1.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2331   -0.6045   -2.0625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8033   -0.4235   -1.2708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1479   -1.3691    0.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4409    2.7176    0.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4460   -1.3759   -0.8306 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0176    2.7047    0.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9568   -1.3810   -0.8605 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  3 18  1  0  0  0  0
  4 11  2  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 14 16  2  0  0  0  0
 14 30  1  0  0  0  0
 15 17  2  0  0  0  0
 15 31  1  0  0  0  0
 16 17  1  0  0  0  0
 16 32  1  0  0  0  0
M  END
$$$$

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2025-02-16, 933👍, 0💬