Molecule FYI-1009955

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A

Molecule Summary:

ID: FYI-1009955
Names:
InChIKey: YGDZBXLCDPSIBH-UHFFFAOYSA-N
SMILES: CCCCCCC(N)C(F)F

Received at FYIcenter.com on: 2024-05-21

Molecule ID: FYI-1009955 Edit

Molecule Structure InChIKey: YGDZBXLCDPSIBH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCC(N)C(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1009955
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    7.2747    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   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  3  1  0  0  0  0
  6  2  1  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009955-3D
FYIcenter.com

 28 27  0     1  0  0  0  0  0999 V2000
    3.3673   -1.4417   -0.6372 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4369   -0.3201    1.2276 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0989    1.8820    0.0722 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4995    0.4124   -0.3517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8349   -0.2490    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7203   -0.3803    0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0627    0.5325   -0.4903 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0820    0.2730   -0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2640   -0.5866    0.3212 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3561   -0.1874   -0.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5910    0.0653   -0.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5589    0.5390   -1.4394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5561    1.4133    0.0906 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8886   -0.3643    1.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8547   -1.2613   -0.4084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6211   -0.5617    1.2064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7052   -1.3665   -0.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0060    0.6015   -1.5832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1186    1.2410    0.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1739    0.4824   -1.2007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2092   -1.5719   -0.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2156   -0.7468    1.4043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2481    0.3385   -0.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3190    2.4298   -0.2874 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9427    2.3614   -0.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6898    1.0430    0.4461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4232   -0.5632    0.2961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6816    0.2045   -1.1181 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  7  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
M  END
$$$$

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2024-05-29, 1763👍, 0💬