Molecule FYI-1008547

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Molecule Summary:

ID: FYI-1008547
Names:
InChIKey: SBIPGWDNINFFNS-UHFFFAOYSA-N
SMILES: Nc1cc(OCC(F)F)ccn1

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

Molecule ID: FYI-1008547 Edit

Molecule Structure InChIKey: SBIPGWDNINFFNS-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc1cc(OCC(F)F)ccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008547
FYIcenter.com

 12 12  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    3.6373    2.8000    0.0000 O   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  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  7  1  0  0  0  0
 10  4  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008547-3D
FYIcenter.com

 20 20  0     0  0  0  0  0  0999 V2000
    3.7784    0.3473    0.8659 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0915    0.9712   -1.1069 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0416    0.0726    0.5267 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9886   -0.5916   -0.2395 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4015    1.7433   -0.0075 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2777   -0.1446    0.2757 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9742   -0.8211   -0.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1708    0.9212    0.2624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7386   -1.4337    0.0318 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2864   -0.1092   -0.3118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5038    0.6471    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0910   -1.6024   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6135   -1.1672   -1.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1305   -1.6729    0.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8234    1.9324    0.4507 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0321   -0.7598   -0.7764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0984   -2.3080    0.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023   -2.5884   -0.4083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1816    2.5513    0.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3756    1.5376   -0.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 10  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4 11  2  0  0  0  0
  4 12  1  0  0  0  0
  5 11  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 15  1  0  0  0  0
  9 12  2  0  0  0  0
  9 17  1  0  0  0  0
 10 16  1  0  0  0  0
 12 18  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1108👍, 0💬