Fluoxetine
C17H18F3NO
54910-89-3 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  22 23 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 4.6200 5.3347 0.0 0
M  V30 2 O 5.3900 6.6685 0.0 0
M  V30 3 C 5.3900 4.0011 0.0 0
M  V30 4 C 4.6200 2.6674 0.0 0
M  V30 5 N 5.3900 1.3338 0.0 0
M  V30 6 C 4.6200 0.0000 0.0 0
M  V30 7 C 11.5500 6.6685 0.0 0
M  V30 8 F 11.5500 5.1285 0.0 0
M  V30 9 F 13.0900 6.6685 0.0 0
M  V30 10 F 11.5500 8.2085 0.0 0
M  V30 11 C 3.0800 5.3347 0.0 0
M  V30 12 C 2.3100 4.0011 0.0 0
M  V30 13 C 2.3100 6.6685 0.0 0
M  V30 14 C 0.7700 4.0011 0.0 0
M  V30 15 C 0.7700 6.6685 0.0 0
M  V30 16 C 0.0000 5.3347 0.0 0
M  V30 17 C 6.9300 6.6685 0.0 0
M  V30 18 C 7.7000 8.0021 0.0 0
M  V30 19 C 7.7000 5.3347 0.0 0
M  V30 20 C 9.2400 8.0021 0.0 0
M  V30 21 C 9.2400 5.3347 0.0 0
M  V30 22 C 10.0100 6.6685 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 3
M  V30 3 1 1 11
M  V30 4 1 2 17
M  V30 5 1 3 4
M  V30 6 1 4 5
M  V30 7 1 5 6
M  V30 8 1 7 8
M  V30 9 1 7 9
M  V30 10 1 7 10
M  V30 11 1 7 22
M  V30 12 2 11 12
M  V30 13 1 11 13
M  V30 14 1 12 14
M  V30 15 2 13 15
M  V30 16 2 14 16
M  V30 17 1 15 16
M  V30 18 2 17 18
M  V30 19 1 17 19
M  V30 20 1 18 20
M  V30 21 2 19 21
M  V30 22 2 20 22
M  V30 23 1 21 22
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
54910-89-3

> <cas.index.name>
Benzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-

> <molecular.formula>
C17H18F3NO

> <molecular.weight>
309.33

> <melting.point.experimental>
158 °C

> <boiling.point.predicted>
395.1±42.0 °C    Press: 760 Torr

> <density.predicted>
1.159±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
10.05±0.10    Most Basic Temp: 25 °C

$$$$
