Molecule FYI-1007403

Home > Molecule

A

Molecule Summary:

ID: FYI-1007403
Names:
InChIKey: MKPYAMZXBHZKJF-UHFFFAOYSA-N
SMILES: O=C(Cc1ccccc1)Nc2ccccc2C(F)(F)F

Received at FYIcenter.com on: 2024-02-20

Molecule ID: FYI-1007403 Edit

Molecule Structure InChIKey: MKPYAMZXBHZKJF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cc1ccccc1)Nc2ccccc2C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1007403
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8870    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.0870    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   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  1  0  0  0  0
  5  4  2  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
  9  6  1  0  0  0  0
 10  5  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  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007403-3D
FYIcenter.com

 32 33  0     0  0  0  0  0  0999 V2000
    1.7583    2.3089   -0.6181 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.8751    2.3211   -0.1460 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4158    1.9583    1.4248 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9237   -1.9820    0.7054 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4648   -0.0938    0.5632 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6833   -0.6305    0.0835 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7979    0.1736    1.3363 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727    0.1980   -0.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0186    0.2097    0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7167   -0.7796    0.8339 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7555   -1.9932   -0.1591 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9655   -0.3502   -0.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7073    1.6684    0.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1051    1.1204   -0.5733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0737   -0.6669    0.7320 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9483   -2.5415   -0.6308 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0533   -1.7200   -0.8537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2468    1.1546   -1.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2155   -0.6330   -0.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3019    0.2778   -1.1216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4094    1.1921    1.4596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0595   -0.1502    2.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4675    0.9103    0.7215 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9523   -2.6993   -0.0147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8387    0.2705   -0.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2887    1.8071   -0.7810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0183   -1.3825    1.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0183   -3.6080   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9819   -2.1471   -1.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3140    1.8632   -2.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0369   -1.3159    0.1274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1908    0.3042   -1.7452 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  2 13  1  0  0  0  0
  3 13  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 12  2  0  0  0  0
  8 13  1  0  0  0  0
  9 14  2  0  0  0  0
  9 15  1  0  0  0  0
 11 16  1  0  0  0  0
 11 24  1  0  0  0  0
 12 17  1  0  0  0  0
 12 25  1  0  0  0  0
 14 18  1  0  0  0  0
 14 26  1  0  0  0  0
 15 19  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  2  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 20  2  0  0  0  0
 18 30  1  0  0  0  0
 19 20  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 1303👍, 0💬