2,2,5,5-Tetrakis(trifluoromethyl)-3-imidazoline
Basic information
- CAS
114611-60-8- Standard SMILES
FC(F)(F)C1(C(F)(F)F)C=NC(C(F)(F)F)(C(F)(F)F)N1- InChIKey
DOCGOFVOYOGHQA-UHFFFAOYSA-N- Molecular formula
- C7H2F12N2
- Average molar mass
- 342.08 g/mol
- Monoisotopic mass
- 342.002636
Names & identifiers
- Preferred name
- 2,2,5,5-Tetrakis(trifluoromethyl)-3-imidazoline
- IUPAC
- 2,2,5,5-tetrakis(trifluoromethyl)-1H-imidazole
- English name
- 2,2,5,5-tetrakis(trifluoromethyl)-3-imidazoline
- Molecular formula
- C7H2F12N2
- Molecular weight
- 342.08
Names & synonyms
TTFMI114611-60-82,2,5,5-Tetrakis(trifluoromethyl)-3-imidazoline2,2,5,5-tetrakis(trifluoromethyl)-2,5-dihydro-1h-imidazoleDTXSID301508001H-Imidazole, 2,5-dihydro-2,2,5,5-tetrakis(trifluoromethyl)-RefChem:80886DTXCID0073291DOCGOFVOYOGHQA-UHFFFAOYSA-N
Database identifiers
- CAS
114611-60-8- PubChem CID
- 195098
- DTXSID
DTXSID30150800
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 24.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 0
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Boiling point
- 152.8 · 152.8±40.0 °C(Predicted)
- Density
- 1.76 · 1.76±0.1 g/cm3(Predicted)
- pka
- -0.69 · -0.69±0.60(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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