Molecule FYI-1008511

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A

Molecule Summary:

ID: FYI-1008511
Names:
InChIKey: UAJNIZRZSBHFKQ-UHFFFAOYSA-N
SMILES: O=C(c1ncc[nH]1)C(F)F

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008511 Edit

Molecule Structure InChIKey: UAJNIZRZSBHFKQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1ncc[nH]1)C(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1008511
FYIcenter.com

 10 10  0  0  0  0  0  0  0  0999 V2000
    5.8531    2.3834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    0.2834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    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  4  2  0  0  0  0
  6  4  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
 10  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008511-3D
FYIcenter.com

 14 14  0     0  0  0  0  0  0999 V2000
   -3.0947    0.0898    0.2646 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8355   -1.4250   -0.6510 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0996    1.7661   -0.1289 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6957    1.0295   -0.1742 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0350   -1.0489    0.2449 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6397    0.1880    0.0405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7329    0.5722    0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8484   -0.4557    0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8369    0.2814   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4037   -0.9975    0.1574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6436    2.0235   -0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7078   -0.9188    1.2813 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8177    0.7137   -0.2373 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0076   -1.8839    0.2856 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2  8  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
M  END
$$$$

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2024-06-03, 957👍, 0💬