Basic information
- CAS
219534-91-5- Standard SMILES
Fc1[nH]cnc1C(F)(F)F- InChIKey
JHXPPUWUZGMSQG-UHFFFAOYSA-N- Molecular formula
- C4H2F4N2
- Average molar mass
- 154.07 g/mol
- Monoisotopic mass
- 154.01541072
Names & identifiers
- Preferred name
- Imidazole, 4-fluoro-5-trifluoromethyl-
- IUPAC
- 4-fluoro-5-(trifluoromethyl)-1H-imidazole
- English name
- 1H-Imidazole,4-fluoro-5-(trifluoromethyl)-(9CI)
- Molecular formula
- C4H2F4N2
- Molecular weight
- 154.07
Names & synonyms
Imidazole, 4-fluoro-5-trifluoromethyl-JHXPPUWUZGMSQG-UHFFFAOYSA-N4-fluoro-5-trifluoromethylimidazoleImidazole, 5-fluoro-4-trifluoromethyl-5-Fluoro-4-(trifluoromethyl)-1H-imidazole #1H-Imidazole, 5-fluoro-4-(trifluoromethyl)-1H-Imidazole,4-fluoro-5-(trifluoromethyl)-(9CI)
Database identifiers
- CAS
219534-91-5- PubChem CID
- 566381
- Nikkaji
- J1.091.952E
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 239.3 · 239.3±35.0 °C(Predicted)
- Density
- 1.56 · 1.560±0.06 g/cm3(Predicted)
- pka
- 7.6 · 7.60±0.10(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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