- InChI
- InChI=1S/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H
- InChI Key
- SINBGNJPYWNUQI-UHFFFAOYSA-N
- Formula
- C5H3F3N2O
- SMILES
- O=C(n1ccnc1)C(F)(F)F
- Molecular Weight1
- 164.09
- CAS
- 1546-79-8
- Other Names
-
- 1-(Trifluoroacetyl)imidazole
- 1H-Imidazole, 1-(trifluoroacetyl)-
- 1-(trifluoroacetyl)-1H-imidazole
- 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).
- Inp : Non-polar retention indices.
- Tboilr : Boiling point at reduced pressure (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| IE | 9.91 | eV | NIST |
| log10WS | -2.02 | Crippen Calculated Property | |
| logPoct/wat | 1.086 | Crippen Calculated Property | |
| McVol | 88.690 | ml/mol | McGowan Calculated Property |
| Inp | [830.00; 830.00] |
|
|
| Inp | 830.00 | NIST | |
| Inp | 830.00 | NIST |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 335.00 | K | 5.10 | NIST |
Similar Compounds
Find more compounds similar to N-Trifluoroacetylimidazole.
Sources
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