Molecule FYI-1007034

Home > Molecule

A

Molecule Summary:

ID: FYI-1007034
Names:
InChIKey: NQRQGOPQRXFXSA-UHFFFAOYSA-N
SMILES: NC1CC12CC2(F)F

Received at FYIcenter.com on: 2024-01-25

Molecule ID: FYI-1007034 Edit

Molecule Structure InChIKey: NQRQGOPQRXFXSA-UHFFFAOYSA-N

Molecule Structure SMILES String: NC1CC12CC2(F)F

Download SDF Download SVG Structure in 2D SDF:

FYI-1007034
FYIcenter.com

  8  9  0  0  0  0  0  0  0  0999 V2000
    4.0125    1.9124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    3.6373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6373    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    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  4  1  0  0  0  0
  7  4  1  0  0  0  0
  7  3  1  0  0  0  0
  8  3  1  0  0  0  0
  8  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007034-3D
FYIcenter.com

 15 16  0     1  0  0  0  0  0999 V2000
   -1.3062    1.4503    0.2867 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8786   -0.2141   -1.0639 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.0601    1.2232   -0.2459 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2250   -0.4801    0.1962 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.6132   -0.0478    0.3259 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2054   -1.1950   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0695    0.1267   -0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8494   -0.8633    1.1202 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1369   -0.3332    1.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2184   -1.0126   -1.6819 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4807   -2.2003   -0.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2899   -1.8461    1.0158 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8207   -0.4752    2.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0592    1.1859   -0.4434 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340    1.9746    0.4311 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  7  1  0  0  0  0
  3  5  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-11, 210👍, 0💬