Molecule FYI-1011959

A

Molecule Summary:

ID: FYI-1011959
Names:
InChIKey: SNGREZUHAYWORS-UHFFFAOYSA-N
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: 2024-08-14

Molecule ID: FYI-1011959 Edit

Molecule Structure InChIKey: SNGREZUHAYWORS-UHFFFAOYSA-N

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-1011959
FYIcenter.com

 25 24  0  0  0  0  0  0  0  0999 V2000
    7.9748    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5748    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1872    3.3124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8872    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6997    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    0.8876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    4.0124    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    0.8875    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    3.3124    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  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  2  0  0  0  0
  9  7  1  0  0  0  0
 10  2  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-1011959-3D
FYIcenter.com

 26 25  0     0  0  0  0  0  0999 V2000
   -1.0539    1.9481   -0.2014 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5434    1.2581   -1.5025 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2215    1.6487    1.0783 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3328    0.2934    1.7581 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211    0.1669   -2.1654 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4525   -1.3197   -1.3550 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0673   -0.7623    1.9165 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8055   -1.7942    0.4870 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9835   -1.7149   -0.6823 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6932   -1.3046    1.0212 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.1054   -0.6120   -1.6013 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.3419   -1.7554   -0.2365 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9677    0.8422   -0.5956 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6826    1.3007    1.1093 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1728   -0.2740    1.2669 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.5699    0.3287    0.6742 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3666    1.6773   -0.7043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2911    0.8598   -0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5314    0.5262    0.7274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2138   -0.2391   -1.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5064   -0.6431    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2850   -0.7254   -0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6302   -0.5967   -0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2786    0.3000    0.4302 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5392    0.5913   -0.1672 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1534    1.1082    0.7930 H   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
 16 26  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
$$$$

✍: FYIcenter.com

2024-10-14, 1403👍, 0💬