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Molecule
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
Identifiers
CAS Registry Number
164298-27-5
SMILES
CN1CCN(C)C1=[F+].F[P-](F)(F)(F)(F)F
InChI Key
HZQRHQLFHYEODY-UHFFFAOYSA-N
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
Names and Synonyms
- 1H-Imidazolium, 2-Fluoro-4,5-Dihydro-1,3-Dimethyl-, Hexafluorophosphate(1-) (1:1) Systematic Name
- 1H-Imidazolium, 2-fluoro-4,5-dihydro-1,3-dimethyl-, hexafluorophosphate(1-) (1:1) Synonym
- 1H-Imidazolium, 2-fluoro-4,5-dihydro-1,3-dimethyl-, hexafluorophosphate(1-) Synonym
- 1,3-Dimethyl-2-fluoroimidazolium hexafluorophosphate Synonym
- DFIH Synonym
- 2-Fluoro-1,3-dimethylimidazolidinium hexafluorophosphate Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 262.11 g/mol | CAS Common Chemistry |
| 262.1089999999999 g/mol | RDKit | |
| 262.109 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 |
| 2.8827 | RDKit | |
| Molar Refractivity | 43.83500000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 262.04698249 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
External Resources
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MW = 262.11 g/mol. Edit any field — others recompute live.
