Molecule FYI-1003668

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A

Molecule Summary:

ID: FYI-1003668
Names:
InChIKey: ZBCUVFWUMQVRIR-UHFFFAOYSA-N
SMILES: OCC1CC=CN=C1F

Received at FYIcenter.com on: 2023-07-17

Molecule ID: FYI-1003668 Edit

Molecule Structure InChIKey: ZBCUVFWUMQVRIR-UHFFFAOYSA-N

Molecule Structure SMILES String: OCC1CC=CN=C1F

Download SDF Download SVG Structure in 2D SDF:

FYI-1003668
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    4.8498    2.1000    0.0000 O   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 N   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
    3.6373    0.0000    0.0000 F   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  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  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003668-3D
FYIcenter.com

 17 17  0     1  0  0  0  0  0999 V2000
   -1.1379    1.7595    0.5514 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5194   -0.4758   -0.5498 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8721    1.3279   -0.3629 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4305   -0.5735    0.6054 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8888   -1.3289    0.7885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2976   -1.1876   -0.4932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1766    0.8750    0.2493 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9433   -0.8162   -0.1393 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8579    0.4194   -0.6495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9968   -0.5788    1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7411   -2.4030    0.6293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2502   -1.2063    1.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5181   -2.2370   -0.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8162   -1.1252   -1.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7859   -1.4539   -0.3842 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6383    0.7781   -1.3127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0578   -0.8845   -1.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
M  END
$$$$

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2023-07-29, 2577👍, 0💬