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Molecule
Tetraethylammonium Hexafluorophosphate
CAS: 429-07-2 · C8H20F6NP
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 429-07-2
- Molecular Formula
- C8H20F6NP
- Molecular Mass
- 275.22 g/mol
Identifiers
CAS Registry Number
429-07-2
SMILES
CC[N+](CC)(CC)CC.F[P-](F)(F)(F)(F)F
InChI Key
KLKUOIXSIDDDCN-UHFFFAOYSA-N
InChI
InChI=1S/C8H20N.F6P/c1-5-9(6-2,7-3)8-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1
Names and Synonyms
- Tetraethylammonium Hexafluorophosphate Synonym
- Tetraethylammonium hexafluorophosphate Synonym
- Phosphate(1-), hexafluoro-, N,N,N-triethylethanaminium Synonym
- Tetraethylammonium hexafluorophosphate(1-) Synonym
- NSC 404041 Synonym
- [Et4N][PF6] Synonym
- Ethanaminium, N,N,N-triethyl-, hexafluorophosphate(1-) (1:1) Synonym
- Ammonium, tetraethyl-, hexafluorophosphate(1-) Synonym
- Ethanaminium, N,N,N-triethyl-, hexafluorophosphate(1-) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 275.22 g/mol | CAS Common Chemistry |
| 275.2169999999999 g/mol | RDKit | |
| 275.217 g/mol | RDKit | |
| Canonical SMILES | [F-][P+5]([F-])([F-])([F-])([F-])[F-].CC[N+](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N.F6P/c1-5-9(6-2,7-3)8-4;1-7(2,3,4,5)6/h5-8H2,1-4H3;/q+1;-1 | CAS Common Chemistry |
| InChI Key | InChIKey=KLKUOIXSIDDDCN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | >250 °C | CAS Common Chemistry |
| Name | Tetraethylammonium hexafluorophosphate | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 5.265200000000004 | RDKit |
| 5.2652 | RDKit | |
| Molar Refractivity | 55.99240000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 275.12375559 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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140
120
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40
20
0 ppm
| 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 = 275.22 g/mol. Edit any field — others recompute live.
