Molecule FYI-1000327

Home > Molecule

A

Molecule Summary:

ID: FYI-1000327
SMILES: C[C@@](c1cc(ccc1F)F)(C(=O)OC)N

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000327 Edit

Molecule Structure SMILES String: C[C@@](c1cc(ccc1F)F)(C(=O)OC)N

Download SDF Download SVG Structure in 2D SDF:

FYI-1000327
FYIcenter.com

 15 15  0  0  1  0  0  0  0  0999 V2000
    4.3373    5.4124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9373    5.4124    0.0000 N   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  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  5  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
  2 15  1  6  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000327-3D
FYIcenter.com

 26 26  0  0  1  0  0  0  0  0999 V2000
    1.0361    0.1269   -0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5774    0.0772   -0.0637 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0709   -1.3201    0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9171   -1.5393    1.4334 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3708   -2.8215    1.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0146   -3.9163    0.9653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1837   -3.7257   -0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7198   -2.4448   -0.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9208   -2.3071   -1.5061 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1675   -2.9991    2.8028 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1475    0.5043   -1.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8148   -0.1905   -2.2162 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8020    1.8071   -1.7302 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3255    2.2948   -2.9669 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0012    1.1041    0.9386 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233   -0.5002   -0.9052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6706    1.1429   -0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5966   -0.2065    0.8396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2507   -0.7211    2.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3907   -4.9023    1.2174 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8984   -4.5619   -0.7653 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0597    3.3521   -3.0536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798    1.7546   -3.8074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4158    2.2122   -2.9854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4715    0.9629    1.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7196    2.0202    0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  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 11  1  6  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 22  1  0  0  0  0
 14 23  1  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 2370👍, 0💬