Molecule FYI-1000324

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Molecule Summary:

ID: FYI-1000324
SMILES: C[C@@](c1cc(cc(c1)F)F)(C(=O)OC)N

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000324 Edit

Molecule Structure SMILES String: C[C@@](c1cc(cc(c1)F)F)(C(=O)OC)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1000324
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    4.3373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    5.4124    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  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
  2 15  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000324-3D
FYIcenter.com

 26 26  0  0  1  0  0  0  0  0999 V2000
    0.9396   -0.1591   -0.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4789   -0.0809   -0.0065 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9484    1.1567    0.7778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5625    1.3523    2.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0160    2.4563    2.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8556    3.3965    2.2713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2334    3.2240    0.9507 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7967    2.1269    0.2092 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0405    4.1270    0.3747 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6355    2.6039    4.1202 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9977   -1.4115    0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1455   -1.6031    1.8497 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1741   -2.3853   -0.3038 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6681   -3.6226    0.2105 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373   -0.0172   -1.4249 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5101   -0.2126    0.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5962   -1.0548   -0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5022    0.7160   -0.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9231    0.6392    2.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2096    4.2439    2.8434 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1443    2.0463   -0.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7697   -4.3195   -0.6262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9651   -4.0496    0.9324 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6545   -3.4817    0.6638 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3920    0.6827   -1.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7288   -0.9164   -1.8638 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  1  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 21  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 3115👍, 0💬