Molecule FYI-1009750

Home > Molecule

A

Molecule Summary:

ID: FYI-1009750
Names:
InChIKey: CDTUSNPNEZUJEV-UHFFFAOYSA-N
SMILES: CC(=O)NCCc1c[nH]c2=CCC(CF)C=c12

Received at FYIcenter.com on: 2024-05-17

Molecule ID: FYI-1009750 Edit

Molecule Structure InChIKey: CDTUSNPNEZUJEV-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)NCCc1c[nH]c2=CCC(CF)C=c12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009750
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.2002    6.8361    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.7676    5.5047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7043    4.4642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2717    3.1328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    0.1306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    1.1710    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0106    3.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0738    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   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  2  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  1  0  0  0  0
  9  5  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  3  1  0  0  0  0
 12  6  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009750-3D
FYIcenter.com

 34 35  0  0  1  0  0  0  0  0999 V2000
    0.8994   -0.4520    1.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3956   -0.4020    1.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9556    0.1761    0.3750 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0567   -1.0623    2.3093 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5053   -1.1010    2.3786 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1055   -2.2444    1.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5955   -2.3160    1.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4427   -1.8656    2.5831 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7583   -2.1163    2.2633 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8564   -2.6781    1.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9017   -2.9900    0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7208   -3.5903   -1.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2542   -3.9080   -1.5395 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.0866   -5.4130   -1.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9430   -5.8209   -2.7372 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.1738   -3.4102   -0.5980 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4747   -2.8579    0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4367    0.1262    0.6321 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5998   -0.0213    2.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5559   -1.4886    1.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5230   -1.5703    3.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7589   -1.2061    3.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8991   -0.1392    2.0284 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7845   -2.1271    0.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6902   -3.2019    1.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2107   -1.3634    3.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5385   -1.6694    2.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   -2.8101    0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3405   -4.4945   -1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1502   -2.8891   -1.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0974   -3.4189   -2.5105 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0727   -5.6603   -2.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3063   -5.9871   -0.8537 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1406   -3.5124   -0.9153 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-22, 1238👍, 0💬