Tafluprost acid
C22H28F2O5
209860-88-8 Copyright (C) 2024 ACS
 29 30  0  0  1  0  0  0  0  0999 V2000
    5.1524    7.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6461    7.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6155    6.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0914    5.2181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0610    4.0738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5368    2.6091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5064    1.4647    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9823    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4845    7.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0245    7.1568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7945    5.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3345    5.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4607    5.0532    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.7945    4.2832    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1045    4.4894    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4558   10.7842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8471   10.2176    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1828    8.6514    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7145    8.4905    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8626   10.1578    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.3408    9.8974    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1963   10.9278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6445    4.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4145    5.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4145    3.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9545    5.8232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9545    3.1558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7245    4.4894    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
 19  1  1  1  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
 10 11  2  0  0  0  0
 20 10  1  6  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 24  1  0  0  0  0
 21 17  1  1  0  0  0
 22 18  1  1  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 23  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  2  0  0  0  0
 28 29  1  0  0  0  0
M  END
> <cas.rn>
209860-88-8

> <cas.index.name>
5-Heptenoic acid, 7-[(1R,2R,3R,5S)-2-[(1E)-3,3-difluoro-4-phenoxy-1-buten-1-yl]-3,5-dihydroxycyclopentyl]-, (5Z)-

> <molecular.formula>
C22H28F2O5

> <molecular.weight>
410.45

> <boiling.point.predicted>
575.883±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.272±0.06 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
4.762±0.10    Most Acidic Temp: 25 °C

$$$$
