Back to Search
Fluoxetine
CAS: 54910-89-3 | C17H18F3NO
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
54910-89-3
Molecular Formula:
C17H18F3NO
Molecular Mass:
309.33 g/mol
Names and Synonyms:
Fluoxetine
Benzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-
Benzenepropanamine, N-methyl-γ-[4-(trifluoromethyl)phenoxy]-, (±)-
N-Methyl-γ-[4-(trifluoromethyl)phenoxy]benzenepropanamine
Fluoxetine
dl-3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine
(±)-Fluoxetine
(±)-N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propylamine
3-(p-Trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine
Deprex
Fluval
NSC 283480
N-Methyl-3-(p-trifluoromethylphenoxy)-3-phenylpropylamine
Nikomed
Fluoxin
Fluoxetin Ratiopharm
Symbiax
Seronil
N-Methyl-3-[4-(trifluoromethyl)phenoxy]-3-phenylpropanamine
Daforin
Identifiers:
SMILES:
CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1
InChI:
InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3
Key Properties
Melting Point
158 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 309.33 g/mol | CAS Common Chemistry |
| 309.33099999999996 g/mol | RDKit | |
| 309.134048856 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C1=CC=C(OC(C=2C=CC=CC2)CCNC)C=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C17H18F3NO/c1-21-12-11-16(13-5-3-2-4-6-13)22-15-9-7-14(8-10-15)17(18,19)20/h2-10,16,21H,11-12H2,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=RTHCYVBBDHJXIQ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 158 °C | CAS Common Chemistry |
| Name | Fluoxetine | CAS Common Chemistry |
| Heavy Atom Count | 22 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 21.259999999999998 Ų | RDKit |
| LogP | 4.435000000000003 | RDKit |
| Molar Refractivity | 79.79870000000004 | RDKit |
