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2,3,5,6-Tetrafluoropyridine
CAS: 2875-18-5 | C5HF4N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2875-18-5
Molecular Formula:
C5HF4N
Molecular Weight:
151.062 g/mol
Names and Synonyms:
2,3,5,6-Tetrafluoropyridine
2,3,5,6-Tetrafluoropyridine
Pyridine, 2,3,5,6-tetrafluoro-
Identifiers:
SMILES:
Fc1cc(F)c(F)nc1F
InChI:
InChI=1S/C5HF4N/c6-2-1-3(7)5(9)10-4(2)8/h1H
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
| Category | Property | Value | Source |
|---|---|---|---|
| Molecular | Molecular Weight | 151.062 g/mol | RDKit |
| Exact | Exact Molecular Weight | 151.004511912 g/mol | RDKit |
| Heavy | Heavy Atom Count | 10 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 0 count | RDKit |
| Aromatic | Aromatic Ring Count | 1 count | RDKit |
| Topological | Topological Polar Surface Area | 12.89 Ų | RDKit |
| Physical Properties | LogP | 1.6380000000000001 | RDKit |
| molecular_mass | 151.06 g/mol | Legacy Database | |
| cas-boiling-point | 102 °C | Legacy Database | |
| cas-canonical-smile | FC=1N=C(F)C(F)=CC1F | Legacy Database | |
| cas-inchi | InChI=1S/C5HF4N/c6-2-1-3(7)5(9)10-4(2)8/h1H | Legacy Database | |
| cas-inchi-key | InChIKey=HWIPMBCMGVXOKN-UHFFFAOYSA-N | Legacy Database | |
| cas-name | 2,3,5,6-Tetrafluoropyridine | Legacy Database | |
| Molar | Molar Refractivity | 24.069 | RDKit |
