Chemical Properties of Fluoxetine (CAS 54910-89-3)

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

InChI Key

RTHCYVBBDHJXIQ-UHFFFAOYSA-N

Formula

C17H18F3NO

SMILES

CNCCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

Molecular Weight¹

309.33

CAS

54910-89-3

Other Names

• (+/-)-N-Methyl-gamma-(4-(trifluoromethyl)phenoxy)benzenepropanamine
• (.+/-.)-N-Methyl-3-phenyl-3-[(«alpha»,la,«alpha»-trifluoro-p-tolyl)oxy]propylamine
• (.+/-.)-N-Methyl-3-phenyl-3-[(«alpha»,«alpha»,«alpha»-trifluoro-p-tolyl)oxy]propylamine
• Benzenepropanamine, N-methyl-«gamma»-[4-(trifluoromethyl)phenoxy]-
• Benzenepropanamine, N-methyl-«gamma»-[4-(trifluoromethyl)phenoxy]-, (.+/-.)-
• N-Methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]-1-propanamine
• N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
• Prozac

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	32.07	kJ/mol	Joback Calculated Property
log10WS	-1.59		Aq. Solubility Prediction
logPoct/wat	4.435		Crippen Calculated Property
McVol	224.030	ml/mol	McGowan Calculated Property
Inp	[1887.90; 1887.90]
Inp	1887.90		NIST
Inp	1887.90		NIST
Tfus	453.65	K	Aq. Solubility Prediction

Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[635.03; 714.34]	J/mol×K	[713.63; 924.15]
Cp,gas	635.03	J/mol×K	713.63	Joback Calculated Property
Cp,gas	650.92	J/mol×K	748.72	Joback Calculated Property
Cp,gas	665.66	J/mol×K	783.80	Joback Calculated Property
Cp,gas	679.30	J/mol×K	818.89	Joback Calculated Property
Cp,gas	691.92	J/mol×K	853.98	Joback Calculated Property
Cp,gas	703.57	J/mol×K	889.06	Joback Calculated Property
Cp,gas	714.34	J/mol×K	924.15	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fluoxetine.

Sources

• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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