Molecule FYI-1017636

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A

Molecule Summary:

ID: FYI-1017636
Names:
InChIKey: VFLAFKYJLUWGKQ-UHFFFAOYSA-N
SMILES: NCCc1ccc(F)o1

Received at FYIcenter.com on: 2026-09-24

Molecule ID: FYI-1017636 Edit

Molecule Structure InChIKey: VFLAFKYJLUWGKQ-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCc1ccc(F)o1

Download SDF Download SVG Structure in 2D SDF:

FYI-1017636
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.7837    2.0923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9163    0.1306    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    1.1710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1531    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2455    1.0247    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017636-3D
FYIcenter.com

 17 17  0     0  0  0  0  0  0999 V2000
   -2.8903    1.2441   -0.1057 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6001    0.7302    0.3196 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8146    0.4323   -0.1668 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5958   -0.2764    0.6328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1370   -0.4105    0.2754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4022    0.3278   -0.5172 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6454   -1.4772   -0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9469   -0.9584   -0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8670    0.3881   -0.0334 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6835    0.3486    1.5302 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9906   -1.2670    0.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0180    1.3231   -0.7694 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036   -0.2937   -1.4145 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204   -2.5011   -0.2188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8322   -1.4987   -0.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9216    1.0342    0.6487 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3183    0.8879   -0.9266 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  3  6  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 11  1  0  0  0  0
  5  7  2  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 15  1  0  0  0  0
M  END
$$$$

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2026-10-17, 357👍, 0💬