Chemical Properties of Triflupromazine (CAS 146-54-3)

InChI

InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3

InChI Key

XSCGXQMFQXDFCW-UHFFFAOYSA-N

Formula

C18H19F3N2S

SMILES

CN(C)CCCN1c2ccccc2Sc2ccc(C(F)(F)F)cc21

Molecular Weight¹

352.42

CAS

146-54-3

Other Names

• 10-[3-(Dimethylamino)propyl]-2-(trifluoromethyl)phenothiazine
• 10H-Phenothiazine-10-propanamine, N,N-dimethyl-2-(trifluoromethyl)-
• 2-(Trifluoromethyl)promazine
• Adazine
• Fluopromazine
• N,N-dimethyl-3-[2-(trifluoromethyl)phenothiazin-10-yl]propan-1-amine
• Phenothiazine, 10-[3-(dimethylamino)propyl]-2-(trifluoromethyl)-
• Psyquil
• Siquil
• Trifluopromazine
• Vesprin

• IE : Ionization energy (eV).
• 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
IE	7.70	eV	Relay (1.0) Calculated Property
log10WS	-5.30		Aq. Solubility Prediction
logPoct/wat	5.260		Crippen Calculated Property
McVol	247.720	ml/mol	McGowan Calculated Property
Inp	[2210.00; 2275.00]
Inp	2238.00		NIST
Inp	2240.00		NIST
Inp	2220.00		NIST
Inp	2212.00		NIST
Inp	2210.00		NIST
Inp	2211.00		NIST
Inp	2239.00		NIST
Inp	Outlier 2275.00		NIST
Inp	2235.00		NIST
Inp	2220.00		NIST
Inp	2238.00		NIST
Inp	2212.00		NIST
Tfus	401.86	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 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.

Similar Compounds

Find more compounds similar to Triflupromazine.

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
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
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