Molecule FYI-1007430

A

Molecule Summary:

ID: FYI-1007430
Names:
InChIKey: QQPRUPZUZCUVJV-OLSPMAKKSA-N
SMILES: O=C(C=C1CCC(C(F)(F)F)CC1)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O

Received at FYIcenter.com on: 2024-02-22

Molecule ID: FYI-1007430 Edit

Molecule Structure InChIKey: QQPRUPZUZCUVJV-OLSPMAKKSA-N

Molecule Structure SMILES String: O=C(C=C1CCC(C(F)(F)F)CC1)N[C@H]2C(O)O[C@H](CO)[C@@H](O)[C@@H]2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007430
FYIcenter.com

 25 26  0  0  1  0  0  0  0  0999 V2000
    6.0623    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8244    2.6124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.4244    0.1876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   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    1.4000    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
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 O   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  2  3  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  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  6  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 19 20  1  1  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 22 23  1  6  0  0  0
 24 22  1  0  0  0  0
 24 15  1  0  0  0  0
 24 25  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007430-3D
FYIcenter.com

 47 48  0     1  0  0  0  0  0999 V2000
    4.5315    1.9253   -1.4416 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.4544    2.4201    0.4740 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4737    1.0789   -0.9146 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4861    1.2379    0.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4955   -2.4235   -1.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5207   -0.4778   -1.6562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6676    1.4838   -0.6044 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5167    3.0582    0.7556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2485   -1.7884    1.9485 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9718   -1.2526   -0.1935 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2680   -0.7364    0.1822 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.3120   -1.0107   -0.9032 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.6524   -0.3689   -0.5309 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4748    1.1018   -0.1356 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1954    0.7593    0.5052 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5805    0.2512    0.2113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4056   -0.8884   -0.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2235    0.6675    0.8037 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6651   -2.0831   -0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4784   -0.5221    1.4128 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3647   -1.6469    0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7663    1.7094    0.4052 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2769    1.4480   -0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1896   -2.2047    0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0681   -1.7380    0.7362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5826   -1.2652    1.0927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9705   -0.6580   -1.8838 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2184   -0.1102    1.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3861   -1.2206   -1.1684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8516   -0.5249   -1.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5995    1.1246    0.0243 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3733    1.4305    1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2883   -2.5502    0.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5040   -2.8389   -0.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5211   -0.1482    1.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0288   -0.8862    2.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1072   -2.9807   -0.6589 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.1398    0.0464   -2.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2526    2.2880   -0.2493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3493    3.4242    1.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 23  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 12  1  0  0  0  0
  5 44  1  0  0  0  0
  6 13  1  0  0  0  0
  6 45  1  0  0  0  0
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  7 46  1  0  0  0  0
  8 22  1  0  0  0  0
  8 47  1  0  0  0  0
  9 25  2  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
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 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 22  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 23  1  0  0  0  0
 16 31  1  0  0  0  0
 17 19  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 20  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 24  2  0  0  0  0
 22 41  1  0  0  0  0
 22 42  1  0  0  0  0
 24 25  1  0  0  0  0
 24 43  1  0  0  0  0
M  END
$$$$

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2024-02-28, 179👍, 0💬