3,5-Bis[(2-fluorophenyl)methylene]-4-piperidinone
C19H15F2NO
342808-40-6 Copyright (C) 2024 ACS
 23 25  0  0  0  0  0  0  0  0999 V2000
    4.0010    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3360    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3348    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6685    4.6201    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0022    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    1.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6697    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    2.3101    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0033    4.6201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3370    3.8501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  3  0  0  0
  1 12  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  2  3  0  0  0
  3 18  1  0  0  0  0
  4 13  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 17  2  0  0  0  0
 16 17  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 23  2  0  0  0  0
 22 23  1  0  0  0  0
M  END
> <cas.rn>
342808-40-6

> <cas.index.name>
4-Piperidinone, 3,5-bis[(2-fluorophenyl)methylene]-

> <molecular.formula>
C19H15F2NO

> <molecular.weight>
311.33

> <melting.point.experimental>
138-142 °C

> <boiling.point.predicted>
496.578±45.00 °C    Press: 760.00 Torr

> <density.predicted>
1.281±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
6.646±0.20    Most Basic Temp: 25 °C

$$$$
