Molecule FYI-1008074

A

Molecule Summary:

ID: FYI-1008074
Names:
InChIKey: MIABSAQIFYEDJP-UHFFFAOYSA-N
SMILES: O=P(O)(O)OCCC(F)(F)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: 2024-04-11

Molecule ID: FYI-1008074 Edit

Molecule Structure InChIKey: MIABSAQIFYEDJP-UHFFFAOYSA-N

Molecule Structure SMILES String: O=P(O)(O)OCCC(F)(F)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-1008074
FYIcenter.com

 32 31  0  0  0  0  0  0  0  0999 V2000
    7.2748    4.9001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    3.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.4000    0.0000 P   0  0  0  0  0  0  0  0  0  0  0  0
    4.6623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    5.6001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4872    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2748    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    7.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    5.7876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    8.2125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250    8.9125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249    8.9125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9374    5.7877    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.3374    5.7877    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.5499    8.9125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.1498    8.9125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3623    5.7877    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    5.7877    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9748    8.9125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.5747    8.9125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1872    8.2125    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8872    7.0001    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.1872    4.3876    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.8872    5.6001    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  2  0  0  0  0
  6  4  1  0  0  0  0
  7  4  1  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 15  1  0  0  0  0
 19 14  1  0  0  0  0
 20 14  1  0  0  0  0
 21 13  1  0  0  0  0
 22 13  1  0  0  0  0
 23 12  1  0  0  0  0
 24 12  1  0  0  0  0
 25 11  1  0  0  0  0
 26 11  1  0  0  0  0
 27 10  1  0  0  0  0
 28 10  1  0  0  0  0
 29  9  1  0  0  0  0
 30  9  1  0  0  0  0
 31  8  1  0  0  0  0
 32  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008074-3D
FYIcenter.com

 38 37  0  0  0  0  0  0  0  0999 V2000
    1.4719   -1.5943    4.1791 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5480   -2.4867    3.6668 P   0  0  0  0  0  0  0  0  0  0  0  0
    2.4276   -3.9818    4.1876 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4868   -2.6804    2.0845 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0486   -2.0612    3.9900 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5898   -0.9423    3.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0923   -1.0806    3.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7591    0.1284    2.7348 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3059    0.2194    1.4478 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3451    1.2595    3.3543 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.2742    0.0400    2.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5815   -1.1025    2.0336 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7868    1.0637    1.9678 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.9104    0.0535    4.0884 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4922    1.1706    4.7604 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4674   -0.9962    4.8347 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.4314    0.0398    4.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9128    1.1349    3.4360 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.8628    0.1607    5.3745 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.0094   -1.2295    3.4869 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4744   -2.3114    4.1114 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6660   -1.3331    2.1784 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5164   -1.2631    3.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0137   -0.1965    2.8711 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.9499   -1.1396    4.8353 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.0211   -2.5536    2.9524 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5675   -3.6182    3.6771 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5118   -2.7351    1.6984 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.5370   -2.5469    2.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0983   -1.4237    3.3909 F   0  0  0  0  0  0  0  0  0  0  0  0
   15.0664   -3.5880    3.5854 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.9788   -2.6738    1.6179 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.5165   -4.1953    4.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5843   -2.5528    1.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2593   -0.0247    3.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2469   -0.9210    2.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3883   -2.0005    2.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3855   -1.2126    4.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 33  1  0  0  0  0
  4 34  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 37  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 29 32  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-07-25, 844👍, 0💬