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1H-Imidazolium, 2-Fluoro-4,5-Dihydro-1,3-Dimethyl-, Hexafluorophosphate(1-) (1:1)
CAS: 164298-27-5 | C5H10F7N2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
164298-27-5
Molecular Formula:
C5H10F7N2P
Molecular Mass:
262.11 g/mol
Names and Synonyms:
1H-Imidazolium, 2-Fluoro-4,5-Dihydro-1,3-Dimethyl-, Hexafluorophosphate(1-) (1:1)
1H-Imidazolium, 2-fluoro-4,5-dihydro-1,3-dimethyl-, hexafluorophosphate(1-) (1:1)
1H-Imidazolium, 2-fluoro-4,5-dihydro-1,3-dimethyl-, hexafluorophosphate(1-)
1,3-Dimethyl-2-fluoroimidazolium hexafluorophosphate
DFIH
2-Fluoro-1,3-dimethylimidazolidinium hexafluorophosphate
Identifiers:
SMILES:
CN1CCN(C)C1=[F+].F[P-](F)(F)(F)(F)F
InChI:
InChI=1S/C5H10FN2.F6P/c1-7-3-4-8(2)5(7)6;1-7(2,3,4,5)6/h3-4H2,1-2H3;/q+1;-1
Key Properties
Melting Point
168 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.11 g/mol | CAS Common Chemistry |
| 262.1089999999999 g/mol | RDKit | |
| 262.04698249 g/mol | RDKit | |
| Canonical SMILES | FC=1N(C)CC[N+]1C.[F-][P+5]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/C5H10FN2.F6P/c1-7-3-4-8(2)5(7)6;1-7(2,3,4,5)6/h3-4H2,1-2H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=HZQRHQLFHYEODY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 168 °C | CAS Common Chemistry |
| Name | 1H-Imidazolium, 2-fluoro-4,5-dihydro-1,3-dimethyl-, hexafluorophosphate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 2.8827000000000016 | RDKit |
| Molar Refractivity | 43.83500000000002 | RDKit |
