- InChI
- InChI=1S/C20H21F3N2OS/c1-3-24(4-2)12-11-19(26)25-15-7-5-6-8-17(15)27-18-10-9-14(13-16(18)25)20(21,22)23/h5-10,13H,3-4,11-12H2,1-2H3
- InChI Key
- VHEOUJNDDFHPGJ-UHFFFAOYSA-N
- Formula
- C20H21F3N2OS
- SMILES
-
CCN(CC)CCC(=O)N1c2ccccc2Sc2ccc
(C(F)(F)F)cc21 - Molecular Weight1
- 394.45
- CAS
- 30223-48-4
- Other Names
-
- Phenothiazine, 10-diethylaminopropionyl-3-trifluoromethyl-, hydrochloride
- 10-Diethylaminopropionyl-3-trifluoromethyl phenothiazine hydrochloride
- Fluoracizine
- 10-[3-(Diethylamino)propionyl]-2-(trifluoromethyl)phenothiazine
- 10H-Phenothiazine, 10-[3-(diethylamino)-1-oxopropyl]-2-(trifluoromethyl)-
- Phenothiazine, 10-(N,N-diethyl-«beta»-alanyl)-2-(trifluoromethyl)-
- Fluoracizine base
- Ftoracizine
- 2-Trifluoromethyl-10-(3-diethylamino-propionyl)-phenothiazine
- Phtorazisin
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7637 | Relay (1.0) Calculated Property | |
| ΔfG° | -312.16 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -658.45 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 105.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.89 ± 0.07 | eV | NIST |
| log10WS | -4.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.567 | Crippen Calculated Property | |
| McVol | 277.470 | ml/mol | McGowan Calculated Property |
| Pc | 1431.62 | kPa | Relay (1.0-beta) Calculated Property |
| Tboil | 714.49 | K | Relay (1.0) Calculated Property |
| Tc | 948.97 | K | Relay (1.0) Calculated Property |
| Tfus | 391.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.989 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Fluacizine.
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
- McGowan Method
- NIST Webbook
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