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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 Mass:
151.06 g/mol
Names and Synonyms:
2,3,5,6-Tetrafluoropyridine
Pyridine, 2,3,5,6-tetrafluoro-
2,3,5,6-Tetrafluoropyridine
Identifiers:
SMILES:
Fc1cc(F)c(F)nc1F
InChI:
InChI=1S/C5HF4N/c6-2-1-3(7)5(9)10-4(2)8/h1H
Key Properties
Boiling Point
102 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 151.06 g/mol | CAS Common Chemistry |
| 151.062 g/mol | RDKit | |
| 151.004511912 g/mol | RDKit | |
| Boiling Point | 102 °C | CAS Common Chemistry |
| Canonical SMILES | FC=1N=C(F)C(F)=CC1F | CAS Common Chemistry |
| InChI | InChI=1S/C5HF4N/c6-2-1-3(7)5(9)10-4(2)8/h1H | CAS Common Chemistry |
| InChI Key | InChIKey=HWIPMBCMGVXOKN-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3,5,6-Tetrafluoropyridine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 1 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 12.89 Ų | RDKit |
| LogP | 1.6380000000000001 | RDKit |
| Molar Refractivity | 24.069 | RDKit |
