- InChI
- InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3
- InChI Key
- PPTYJKAXVCCBDU-UHFFFAOYSA-N
- Formula
- C16H12FN3O3
- SMILES
-
CN1C(=O)CN=C(c2ccccc2F)c2cc([N
+](=O)[O-])ccc21 - Molecular Weight1
- 313.28
- CAS
- 1622-62-4
- Other Names
-
- 2H-1,4-Benzodiazepin-2-one, 5-(2-fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-
- 2H-1,4-Benzodiazepin-2-one, 1,3-dihydro-5-(2-fluorophenyl)-1-methyl-7-nitro-
- 1,3-Dihydro-5-(o-fluorophenyl)-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one
- 1-Methyl-7-nitro-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2(1H)-one
- Narcozep
- Ro 5-4200
- Rohypnol
- 5-(o-Fluorophenyl)-1,3-dihydro-1-methyl-7-nitro-2H-1,4-benzodiazepin-2-one
- Roipnol
- 5-(2-Fluorophenyl)-1-methyl-7-nitro-1,3-dihydrobenzo[e][1,4]diazepin-2-one
- 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 | 0.7509 | Relay (... Calculated Property | |
| ΔfG° | 182.26 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -77.00 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 113.81 | kJ/mol | Relay (... Calculated Property |
| IE | 8.40 | eV | Relay (... Calculated Property |
| log10WS | -3.70 | Relay (... Calculated Property | |
| logPoct/wat | 2.548 | Crippen Calculated Property | |
| McVol | 214.340 | ml/mol | McGowan Calculated Property |
| Pc | 2508.40 | kPa | Relay (... Calculated Property ⚠️ |
| Inp | [2571.00; 2712.70] |
|
|
| Inp | 2600.00 | NIST | |
| Inp | 2633.00 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2571.00 | NIST | |
| Inp | 2610.00 | NIST | |
| Inp | 2646.00 | NIST | |
| Inp | 2645.00 | NIST | |
| Inp | Outlier 2712.70 | NIST | |
| Inp | 2594.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Inp | 2572.00 | NIST | |
| Inp | 2645.00 | NIST | |
| Inp | 2633.00 | NIST | |
| Inp | 2633.00 | NIST | |
| Inp | 2607.00 | NIST | |
| Inp | 2577.00 | NIST | |
| Inp | 2645.00 | NIST | |
| Inp | Outlier 2712.70 | NIST | |
| Inp | 2600.00 | NIST | |
| Inp | 2646.00 | NIST | |
| Inp | 2645.00 | NIST | |
| Tboil | 672.25 | K | Relay (... Calculated Property |
| Tc | 1029.11 | K | Relay (... Calculated Property |
| Tfus | 455.25 | K | Relay (... Calculated Property |
| Vc | 0.753 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Flunitrazepam.
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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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.