Chemical Properties of Fluoxetine, N-acetyl (CAS 202122-33-6)

InChI

InChI=1S/C19H20F3NO2/c1-14(24)23(2)13-12-18(15-6-4-3-5-7-15)25-17-10-8-16(9-11-17)19(20,21)22/h3-11,18H,12-13H2,1-2H3

InChI Key

VFRCUAKESBDNII-UHFFFAOYSA-N

Formula

C19H20F3NO2

SMILES

CC(=O)N(C)CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1

Molecular Weight¹

351.36

CAS

202122-33-6

Other Names

• Fluoxetin, acetyl
• Fluoxetine, acetyl

• 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°	36.77	kJ/mol	Joback Calculated Property
log10WS	-3.15		Relay (1.0) Calculated Property
logPoct/wat	4.694		Crippen Calculated Property
McVol	253.780	ml/mol	McGowan Calculated Property
Inp	[2250.00; 2250.00]
Inp	2250.00		NIST
Inp	2250.00		NIST
Tfus	395.93	K	Relay (1.0) Calculated Property

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	[747.74; 824.04]	J/mol×K	[775.53; 985.02]
Cp,gas	747.74	J/mol×K	775.53	Joback Calculated Property
Cp,gas	763.10	J/mol×K	810.44	Joback Calculated Property
Cp,gas	777.30	J/mol×K	845.36	Joback Calculated Property
Cp,gas	790.42	J/mol×K	880.27	Joback Calculated Property
Cp,gas	802.53	J/mol×K	915.19	Joback Calculated Property
Cp,gas	813.71	J/mol×K	950.10	Joback Calculated Property
Cp,gas	824.04	J/mol×K	985.02	Joback Calculated Property

Similar Compounds

Find more compounds similar to Fluoxetine, N-acetyl.

Sources

• Cheméo Relay (1.0)
• 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
• Crippen Method
• Joback 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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