Molecule FYI-1001033

Home > Molecule

A

Molecule Summary:

ID: FYI-1001033
SMILES: C1CC2C(CCC3(C)C2CCC3OI)C4(C)CC(Cl)C(F)(F)CC14

Received at FYIcenter.com on: 2021-10-25

Molecule ID: FYI-1001033 Edit

Molecule Structure SMILES String: C1CC2C(CCC3(C)C2CCC3OI)C4(C)CC(Cl)C(F)(F)CC14

Download SDF Download SVG Structure in 2D SDF:

FYI-1001033
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    6.1753    4.7817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7426    6.1131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3732    6.4043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4364    5.3638    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0671    5.6549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6345    6.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5712    8.0268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2397    8.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9406    7.7357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7038    9.9885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.4191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.1191    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.4191    0.0000 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.8691    4.0324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997    4.3234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9323    2.9919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3649    1.6604    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4282    0.6200    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7343    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4432    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.7747    0.4326    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.6711    2.4098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2385    3.7413    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  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
  9  3  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
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15  4  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
 24  1  1  0  0  0  0
 24 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001033-3D
FYIcenter.com

 52 55  0  0  1  0  0  0  0  0999 V2000
   -1.1489    1.8441    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5770    0.5917   -0.3356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6191   -0.5873   -0.0667 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8334   -0.1890   -0.4397 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.7803   -1.4051   -0.4406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2386   -2.7004    0.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1820   -3.1408   -0.2594 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0362   -4.2728   -1.3034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0417   -1.9188   -0.7544 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4975   -2.2406   -0.3573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4933   -3.6343    0.2227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0997   -3.7279    0.8757 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7416   -5.0580    1.2362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8205   -5.8522    2.6421 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.3146    1.0724    0.3905 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3749    0.7051    1.9044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7476    1.5589   -0.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0735    2.9615    0.5372 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.7417    3.4171    0.0644 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0552    3.9877    0.0561 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3528    5.2273    0.5097 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0408    4.0547   -1.2990 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.6625    3.6081    0.5473 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2854    2.2137    0.0462 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.2497    1.6774    1.5082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8361    2.6635    0.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6060    0.8099   -1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6046    0.3666   -0.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6522   -0.7742    1.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8062    0.1438   -1.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7310   -1.1615    0.0447 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459   -1.6170   -1.4872 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9740   -3.4805   -0.0499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2749   -2.6052    1.2835 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5825   -3.9297   -2.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8879   -4.7494   -1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6364   -5.0841   -0.8577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9631   -1.8184   -1.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1959   -2.1293   -1.1900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8515   -1.5863    0.4497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6381   -4.3864   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3128   -3.7632    0.9357 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0386   -3.0737    1.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2868    1.0600    2.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3612   -0.3778    2.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5418    1.1297    2.4635 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8124    1.5747   -1.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4971    0.8544    0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0833    2.9610    1.6292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0530    4.3469    0.1585 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6122    3.6688    1.6407 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2814    2.3033   -1.0513 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 12  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 13  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 24  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  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 50  1  0  0  0  0
 23 51  1  0  0  0  0
 24 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 1746👍, 0💬