- InChI
- InChI=1S/C18H17F3N2OS/c1-12(24)22-9-4-10-23-14-5-2-3-6-16(14)25-17-8-7-13(11-15(17)23)18(19,20)21/h2-3,5-8,11H,4,9-10H2,1H3,(H,22,24)
- InChI Key
- VDSDDOIKQFYIPK-UHFFFAOYSA-N
- Formula
- C18H17F3N2OS
- SMILES
-
CC(O)=NCCCN1c2ccccc2Sc2ccc(C(F
)(F)F)cc21 - Molecular Weight1
- 366.40
- Other Names
-
- Triflupromazine M (bis-nor-), acetylated
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.8727 | Relay (... Calculated Property | |
| ΔfG° | -305.91 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -666.09 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 136.65 | kJ/mol | Relay (... Calculated Property |
| IE | 7.48 | eV | Relay (... Calculated Property |
| log10WS | -5.81 | Relay (... Calculated Property | |
| logPoct/wat | 5.675 | Crippen Calculated Property | |
| McVol | 249.290 | ml/mol | McGowan Calculated Property |
| Pc | 1684.64 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2765.00; 2765.00] |
|
|
| Inp | 2765.00 | NIST | |
| Inp | 2765.00 | NIST | |
| Inp | 2765.00 | NIST | |
| Inp | 2765.00 | NIST | |
| Inp | 2765.00 | NIST | |
| Inp | 2765.00 | NIST | |
| Tboil | 734.75 | K | Relay (... Calculated Property |
| Tc | 966.85 | K | Relay (... Calculated Property |
| Tfus | 404.92 | K | Relay (... Calculated Property |
| Vc | 0.875 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Fluphenazine M (amino-), monoacetylated.
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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