Molecule FYI-1001505

Home > Molecule

A

Molecule Summary:

ID: FYI-1001505
SMILES: FC(F)(F)CNC(=O)C1C(Cl)=CC(F)=C(OCC(F)(F)C(F)(F)F)C=1

Received at FYIcenter.com on: 2022-08-17

Molecule ID: FYI-1001505 Edit

Molecule Structure SMILES String: FC(F)(F)CNC(=O)C1C(Cl)=CC(F)=C(OCC(F)(F)C(F)(F)F)C=1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001505
FYIcenter.com

 25 27  0  0  1  0  0  0  0  0999 V2000
   11.4028    7.5124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9152    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    5.0876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    4.9000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    4.1923    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    2.2306    0.0000 N   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  7  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
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 12 13  1  1  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 19  1  0  0  0  0
 21 15  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001505-3D
FYIcenter.com

 32 32  0  0  0  0  0  0  0  0999 V2000
    3.3326   -4.6795   -2.0756 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.3550   -3.8466   -2.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6504   -4.5191   -3.4455 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5238   -3.6113   -1.4660 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9168   -2.5496   -3.0900 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3711   -2.4359   -3.0562 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0322   -1.8723   -1.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4544   -1.4601   -0.9942 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5168   -1.8081   -2.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2052   -1.6441   -3.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4410   -1.4146   -4.8382 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.5990   -1.6241   -3.3129 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3062   -1.7425   -2.1245 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6453   -1.7144   -2.2120 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6514   -1.8762   -0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2464   -1.9888    0.3347 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6845   -1.9911    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2215   -2.1377    1.7732 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7644   -1.1077    2.5406 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7208   -3.2758    2.3325 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.7553   -2.1680    1.7639 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2687   -2.0747    0.5108 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2897   -1.1465    2.4770 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.2449   -3.3142    2.2972 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2501   -1.9056   -0.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4869   -1.6886   -2.5677 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6310   -2.4643   -4.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9010   -2.8847   -3.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1487   -1.5083   -4.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0440   -1.0393   -0.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0412   -2.8412   -0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7249   -2.0104    0.0617 H   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
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  2  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 15 16  1  0  0  0  0
 15 25  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 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
 25 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1202👍, 0💬