Molecule FYI-1006244

A

Molecule Summary:

ID: FYI-1006244
Names:
InChIKey: KHPXEAKPVQQQDP-SRWQFPSISA-N
SMILES: O=C(/C=C(O)/C=C/C=C/CN1CCOCC1)C(F)(F)F

Received at FYIcenter.com on: 2023-12-05

Molecule ID: FYI-1006244 Edit

Molecule Structure InChIKey: KHPXEAKPVQQQDP-SRWQFPSISA-N

Molecule Structure SMILES String: O=C(/C=C(O)/C=C/C=C/CN1CCOCC1)C(F)(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1006244
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
    4.8497    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   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    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   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
    1.2125    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  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
 13  8  1  0  0  0  0
 14  2  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 16 18  1  0  0  0  0
 16 19  1  0  0  0  0
 16 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006244-3D
FYIcenter.com

 36 36  0  0  0  0  0  0  0  0999 V2000
    0.8019    0.3771   -0.0217 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9451    0.7834   -0.2636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    1.3273    0.8551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3273    1.3818    2.1206 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0781    0.9401    2.5003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1159    1.9715    3.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    2.0568    4.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3939    2.7653    5.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9029    2.8041    6.7707 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4379    3.6270    7.9091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3898    4.4634    8.5133 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8479    5.5064    7.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7576    6.7346    7.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1542    7.3056    8.6738 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7930    6.3230    9.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8608    5.1265    9.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5679    0.7758   -1.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8327    1.2844   -1.6787 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6561   -0.4794   -2.1740 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8494    1.5136   -2.5466 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7622    1.6938    0.5944 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5999    0.6095    1.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0762    2.4000    2.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392    1.6206    4.7400 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2862    3.3296    5.2604 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0138    2.2205    7.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3108    4.2117    7.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7852    2.9106    8.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9098    5.8545    8.0670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5648    5.0959    6.6385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2090    7.5091    6.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6514    6.4875    6.8393 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0429    6.8041   10.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7344    6.0167    9.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9715    5.4928   10.2798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3399    4.4047   10.4203 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 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  2  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  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
M  END
$$$$

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2023-12-14, 268👍, 0💬