- InChI
- InChI=1S/C23H25F3N2OS/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29/h1-2,4-8,16,29H,3,9-15H2/b18-5-
- InChI Key
- NJMYODHXAKYRHW-DVZOWYKESA-N
- Formula
- C23H25F3N2OS
- SMILES
-
OCCN1CCN(CCC=C2c3ccccc3Sc3ccc(
C(F)(F)F)cc32)CC1 - Molecular Weight1
- 434.52
- CAS
- 2709-56-0
- Other Names
-
- 1-Piperazineethanol, 4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-
- 1-Piperazineethanol, 4-(3-(2-(trifluoromethyl)thioxanthen-9-ylidene)propyl)-
- Emergil
- Fluanxol
- Flupenthixol
- Flupenthixole
- Flurentixol
- Fluxanxol
- LC 44
- N 7009
- Siplaril
- Siplarol
- 2-Trifluoromethyl-9-(3-(4-(«beta»-hydroxyethyl)-1-piperazinyl)propylidene)thioxanthene
- 4-(3-(2-(Trifluoromethyl)thioxanthen-9-ylidene)propyl)-1-piperazineethanol
- 4-(3-(2-(Trifluoromethyl)-9H-thioxanthen-9-ylidene)propyl)-1-piperazineethanol
- 2-Trifluoromethyl-9-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propylidene]thioxanthene
- 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 | 0.9122 | Relay (... Calculated Property | |
| ΔfG° | -205.30 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -611.75 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 142.66 | kJ/mol | Relay (... Calculated Property |
| IE | 8.38 | eV | Relay (... Calculated Property |
| log10WS | -4.60 | Relay (... Calculated Property | |
| logPoct/wat | 4.602 | Crippen Calculated Property | |
| McVol | 308.880 | ml/mol | McGowan Calculated Property |
| Pc | 824.92 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 784.93 | K | Relay (... Calculated Property |
| Tc | 1020.22 | K | Relay (... Calculated Property |
| Tfus | 424.86 | K | Relay (... Calculated Property |
| Vc | 1.087 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Flupentixol.
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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