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Molecule
Methanaminium, N-[(Dimethylamino)Fluoromethylene]-N-Methyl-, Hexafluorophosphate(1-) (1:1)
CAS: 164298-23-1 · C5H12F7N2P
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 164298-23-1
- Molecular Formula
- C5H12F7N2P
- Molecular Mass
- 264.12 g/mol
Identifiers
CAS Registry Number
164298-23-1
SMILES
CN(C)C(=[F+])N(C)C.F[P-](F)(F)(F)(F)F
InChI Key
ZAVXOOLKAGPJPI-UHFFFAOYSA-N
InChI
InChI=1S/C5H12FN2.F6P/c1-7(2)5(6)8(3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1
Names and Synonyms
- Methanaminium, N-[(Dimethylamino)Fluoromethylene]-N-Methyl-, Hexafluorophosphate(1-) (1:1) Systematic Name
- Methanaminium, N-[(dimethylamino)fluoromethylene]-N-methyl-, hexafluorophosphate(1-) (1:1) Synonym
- Methanaminium, N-[(dimethylamino)fluoromethylene]-N-methyl-, hexafluorophosphate(1-) Synonym
- Tetramethylfluoroformamidinium hexafluorophosphate Synonym
- TFFH Synonym
- Fluoro-N,N,N′,N′-tetramethylformamidinium hexafluorophosphate Synonym
- [(Dimethylamino)(fluoro)methylidene]dimethylazanium; hexafluoro-λ5-phosphanuide Synonym
- Nitrogen(2+), [(fluoroamino)carbonyl]tetramethyl-, hexafluorophosphate(1-) (1:2) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 264.12 g/mol | CAS Common Chemistry |
| 264.12499999999994 g/mol | RDKit | |
| 264.125 g/mol | RDKit | |
| Canonical SMILES | FC(N(C)C)=[N+](C)C.[F-][P+5]([F-])([F-])([F-])([F-])[F-] | CAS Common Chemistry |
| InChI | InChI=1S/C5H12FN2.F6P/c1-7(2)5(6)8(3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=ZAVXOOLKAGPJPI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 110 °C | CAS Common Chemistry |
| Name | Methanaminium, N-[(dimethylamino)fluoromethylene]-N-methyl-, hexafluorophosphate(1-) (1:1) | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 3.128700000000002 | RDKit |
| 3.1287 | RDKit | |
| Molar Refractivity | 45.94900000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.8 | RDKit |
| Exact Mass | 264.062632554 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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.
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MW = 264.12 g/mol. Edit any field — others recompute live.
