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Diflufenican
CAS: 83164-33-4 | C19H11F5N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83164-33-4
Molecular Formula:
C19H11F5N2O2
Molecular Mass:
394.30 g/mol
Names and Synonyms:
Diflufenican
3-Pyridinecarboxamide, N-(2,4-difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-
N-(2,4-Difluorophenyl)-2-[3-(trifluoromethyl)phenoxy]-3-pyridinecarboxamide
Diflufenican
FR 1078
Kwarc
Brodal
Diflufenicanil
Canyon
Legato
Hurricane (herbicide)
Identifiers:
SMILES:
O=C(Nc1ccc(F)cc1F)c1cccnc1Oc1cccc(C(F)(F)F)c1
InChI:
InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27)
Key Properties
Melting Point
160 °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 | 394.30 g/mol | CAS Common Chemistry |
| 394.29900000000004 g/mol | RDKit | |
| 394.074068692 g/mol | RDKit | |
| Canonical SMILES | O=C(NC1=CC=C(F)C=C1F)C2=CC=CN=C2OC3=CC=CC(=C3)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C19H11F5N2O2/c20-12-6-7-16(15(21)10-12)26-17(27)14-5-2-8-25-18(14)28-13-4-1-3-11(9-13)19(22,23)24/h1-10H,(H,26,27) | CAS Common Chemistry |
| InChI Key | InChIKey=WYEHFWKAOXOVJD-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160 °C | CAS Common Chemistry |
| Name | Diflufenican | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 51.22 Ų | RDKit |
| LogP | 5.423200000000003 | RDKit |
| Molar Refractivity | 90.06620000000004 | RDKit |
