Molecule FYI-1004501

A

Molecule Summary:

ID: FYI-1004501
Names:
InChIKey: SNGREZUHAYWORS-UHFFFAOYSA-M
SMILES: O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Received at FYIcenter.com on: 2023-09-11

Molecule ID: FYI-1004501 Edit

Molecule Structure InChIKey: SNGREZUHAYWORS-UHFFFAOYSA-M

Molecule Structure SMILES String: O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1004501
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
   10.9121    1.2125    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6997    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    3.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7872    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1872    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9748    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    1.9125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    3.1249    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    2.4249    0.0000 F   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 13  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 19  1  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 25 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004501-3D
FYIcenter.com

 25 24  0     0  0  0  0  0  0999 V2000
    1.4197   -1.1220    1.6944 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4509   -2.6041    0.4413 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2021   -1.0849    1.8705 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4126    0.7522    1.0272 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6706   -1.6905   -0.6121 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9217   -1.1703   -1.7846 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1003   -0.2193   -1.5481 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9205   -1.9915   -0.5915 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.8197    0.6604   -1.8662 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0214    1.4048   -0.9028 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7532   -0.1412   -1.2352 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5984   -0.5238    0.9005 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0396    0.3377    0.5757 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2762    2.3532    0.2334 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2234    0.9945    1.5754 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8674    1.9146    1.2891 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.0674    2.2659   -0.9572 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6975   -1.2655    0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6353   -0.5559    0.7466 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5781   -0.8711   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6418   -0.6742   -0.3913 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0715    0.5639   -0.7293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9524    0.0465   -0.1505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9161    1.0653    0.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9550    1.5554    0.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 18  1  0  0  0  0
  3 19  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 14 24  1  0  0  0  0
 15 24  1  0  0  0  0
 16 25  1  0  0  0  0
 17 25  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 25  1  0  0  0  0
M  END
$$$$

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2023-09-16, 2647👍, 0💬