- InChI
- InChI=1S/C22H24F3N3OS/c1-16(29)27-13-11-26(12-14-27)9-4-10-28-18-5-2-3-6-20(18)30-21-8-7-17(15-19(21)28)22(23,24)25/h2-3,5-8,15H,4,9-14H2,1H3
- InChI Key
- WXZWHZDKXPLWHV-UHFFFAOYSA-N
- Formula
- C22H24F3N3OS
- SMILES
-
CC(=O)N1CCN(CCCN2c3ccccc3Sc3cc
c(C(F)(F)F)cc32)CC1 - Molecular Weight1
- 435.51
- 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 | 0.8203 | Relay (1.0) Calculated Property | |
| ΔfG° | -178.25 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -625.59 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 130.98 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.76 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.56 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.862 | Crippen Calculated Property | |
| McVol | 304.770 | ml/mol | McGowan Calculated Property |
| Pc | 985.85 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | [3150.00; 3150.00] |
|
|
| Inp | 3150.00 | NIST | |
| Inp | 3150.00 | NIST | |
| Inp | 3150.00 | NIST | |
| Tboil | 768.93 | K | Relay (1.0) Calculated Property |
| Tc | 1022.45 | K | Relay (1.0) Calculated Property |
| Tfus | 402.25 | K | Relay (1.0) Calculated Property |
| Vc | 1.093 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to Fluphenazine M (desalkyl-), 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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