Chemical Properties of Fenfluramine

InChI

InChI=1S/C12H16F3N/c1-3-16-9(2)7-10-5-4-6-11(8-10)12(13,14)15/h4-6,8-9,16H,3,7H2,1-2H3

InChI Key

DBGIVFWFUFKIQN-UHFFFAOYSA-N

Formula

C12H16F3N

SMILES

CCNC(C)Cc1cccc(C(F)(F)F)c1

Molecular Weight¹

231.26

Other Names

• 1-(meta-Trifluoromethyl-phenyl)-2 ethylaminopropane
• 3-(Trifluoromethyl)-N-ethyl-«alpha»-methylphenethylamine
• Acino
• Benzeneethanamine, N-ethyl-«alpha»-methyl-3-(trifluoromethyl)-
• DL-Fenfluramine
• N-Ethyl-«alpha»-methyl-3-trifluoromethylphenethylamine
• Obedrex
• Pesos
• Phenethylamine, N-ethyl-«alpha»-methyl-m-(trifluoromethyl)-
• Ponderax PA
• Rotondin

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.89	kJ/mol	Joback Calculated Property
IE	8.84	eV	Relay (1.0) Calculated Property
logPoct/wat	3.246		Crippen Calculated Property
McVol	171.470	ml/mol	McGowan Calculated Property
Inp	[1173.00; 1240.60]
Inp	1240.00		NIST
Inp	1226.00		NIST
Inp	1183.00		NIST
Inp	1183.00		NIST
Inp	1220.00		NIST
Inp	1240.60		NIST
Inp	1220.00		NIST
Inp	1220.00		NIST
Inp	1220.00		NIST
Inp	1173.00		NIST
Inp	1177.00		NIST
Inp	1185.00		NIST
Inp	1220.00		NIST
Inp	1220.00		NIST
Inp	1222.00		NIST
Inp	1240.60		NIST
Inp	1220.00		NIST
I	[1531.00; 1569.00]
I	1531.00		NIST
I	1532.00		NIST
I	1555.00		NIST
I	1562.00		NIST
I	1569.00		NIST
Tboil	489.81	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[244.35; 576.96]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.67180e+01
Coefficient B			1.24874e+00
Coefficient C			-8.65960e-04
Coefficient D			2.30900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	244.35	J/mol×K	273.00	Calculated Property
Cp,gas	306.90	J/mol×K	353.78	Calculated Property
Cp,gas	361.35	J/mol×K	434.56	Calculated Property
Cp,gas	408.43	J/mol×K	515.33	Calculated Property
Cp,gas	448.86	J/mol×K	596.11	Calculated Property
Cp,gas	483.39	J/mol×K	676.89	Calculated Property
Cp,gas	512.73	J/mol×K	757.67	Calculated Property
Cp,gas	537.62	J/mol×K	838.44	Calculated Property
Cp,gas	558.79	J/mol×K	919.22	Calculated Property
Cp,gas	576.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Fenfluramine.

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.
These property values are available through the Cheméo API. A free account gives you an access key.