Molecule FYI-1010733

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A

Molecule Summary:

ID: FYI-1010733
Names:
InChIKey: NLPSDRNESBTEJJ-UHFFFAOYSA-N
SMILES: NC13CC2CC(I)(C1)CC(C(F)(F)F)(C2)C3

Received at FYIcenter.com on: 2024-07-08

Molecule ID: FYI-1010733 Edit

Molecule Structure InChIKey: NLPSDRNESBTEJJ-UHFFFAOYSA-N

Molecule Structure SMILES String: NC13CC2CC(I)(C1)CC(C(F)(F)F)(C2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1010733
FYIcenter.com

 16 18  0  0  0  0  0  0  0  0999 V2000
    4.5255    3.5962    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5203    3.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3595    3.0158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7835    2.0280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3233    0.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5203    1.0052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    0.0000    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    4.1007    2.0106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8193    1.6931    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5856    4.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8608    3.3925    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464    4.3562    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0052    5.3614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.7810    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.4248    6.3668    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0106    5.9418    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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  6  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  4  1  0  0  0  0
 12 10  1  0  0  0  0
 12  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010733-3D
FYIcenter.com

 31 33  0  0  1  0  0  0  0  0999 V2000
    1.0490    0.0685    0.0271 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5083    0.0837    0.0358 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.0309    0.9573    1.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5678    0.9606    1.1964 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0806    1.5224   -0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5708    0.6510   -1.3051 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.2984    1.4451   -3.1766 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.0280    0.6472   -1.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0818   -0.7932   -1.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5797   -1.3899    0.2211 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0904   -2.8311    0.4041 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8512   -3.2340   -0.6387 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.8506   -2.9575    1.5161 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.0770   -3.7183    0.5193 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781   -0.4782    1.3716 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0302   -1.3561    0.2152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6838    1.0159   -0.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6904   -0.2818    0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6639    0.5786    2.1573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6609    1.9865    1.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9330    1.5829    2.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1783    1.5500   -0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7433    2.5609   -0.2534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6478    0.0428   -2.1389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6442    1.6653   -1.4582 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1803   -0.8106   -1.1422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7434   -1.4235   -1.9536 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1757   -0.4743    1.4019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7364   -0.8705    2.3384 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490   -1.7785    1.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6499   -1.9961   -0.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  8 24  1  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
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  1  0  0  0  0
 10 16  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
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 16 31  1  0  0  0  0
M  END
$$$$

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2024-07-25, 654👍, 0💬