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Molecule
Tetraethylammonium Fluoride
CAS: 665-46-3 · C8H20FN
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 665-46-3
- Molecular Formula
- C8H20FN
- Molecular Mass
- 149.25 g/mol
Identifiers
CAS Registry Number
665-46-3
SMILES
CC[N+](CC)(CC)CC.[F-]
InChI Key
QSUJAUYJBJRLKV-UHFFFAOYSA-M
InChI
InChI=1S/C8H20N.FH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
Names and Synonyms
- Tetraethylammonium Fluoride Synonym
- Ethanaminium, N,N,N-triethyl-, fluoride (1:1) Synonym
- Ammonium, tetraethyl-, fluoride Synonym
- Ethanaminium, N,N,N-triethyl-, fluoride Synonym
- Tetraethylammonium fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 149.25 g/mol | CAS Common Chemistry |
| 149.253 g/mol | RDKit | |
| Canonical SMILES | [F-].CC[N+](CC)(CC)CC | CAS Common Chemistry |
| InChI | InChI=1S/C8H20N.FH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=QSUJAUYJBJRLKV-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 80 °C (decomp) | CAS Common Chemistry |
| Name | Tetraethylammonium fluoride | CAS Common Chemistry |
| Heavy Atom Count | 10 | 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 | -1.1131999999999973 | RDKit |
| -1.1132 | RDKit | |
| Molar Refractivity | 42.424400000000006 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 149.15797786 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 149.25 g/mol. Edit any field — others recompute live.
