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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 Weight:
149.253 g/mol
Names and Synonyms:
Tetraethylammonium Fluoride
Ethanaminium, N,N,N-triethyl-, fluoride (1:1)
Ammonium, tetraethyl-, fluoride
Ethanaminium, N,N,N-triethyl-, fluoride
Tetraethylammonium fluoride
Identifiers:
SMILES:
CC[N+](CC)(CC)CC.[F-]
InChI:
InChI=1S/C8H20N.FH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 149.25 g/mol | Legacy Database |
| cas-canonical-smile | [F-].CC[N+](CC)(CC)CC None | Legacy Database |
| cas-inchi | InChI=1S/C8H20N.FH/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H/q+1;/p-1 None | Legacy Database |
| cas-inchi-key | InChIKey=QSUJAUYJBJRLKV-UHFFFAOYSA-M None | Legacy Database |
| cas-melting-point | 80 °C (decomp) None | Legacy Database |
| cas-name | Tetraethylammonium fluoride None | Legacy Database |
| LogP | -1.1131999999999973 | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 4 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 42.424400000000006 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 149.253 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.15797786 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
