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Lufenuron
CAS: 103055-07-8 | C17H8Cl2F8N2O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103055-07-8
Molecular Formula:
C17H8Cl2F8N2O3
Molecular Mass:
511.15 g/mol
Names and Synonyms:
Lufenuron
Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluoro-
N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide
Lufenuron
CGA 184699
Match
Match (pesticide)
Fluphenacur
Program
Match 5EC
Fuoro
(RS)-1-[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)urea
Cigna
Mani (insecticide)
Mani
Identifiers:
SMILES:
O=C(N=C(O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl
InChI:
InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)
Key Properties
Melting Point
166 °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 | 511.15 g/mol | CAS Common Chemistry |
| 511.15200000000004 g/mol | RDKit | |
| 509.97842323599997 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Lufenuron | CAS Common Chemistry |
| Canonical SMILES | O=C(NC(=O)C=1C(F)=CC=CC1F)NC=2C=C(Cl)C(OC(F)(F)C(F)C(F)(F)F)=CC2Cl | CAS Common Chemistry |
| InChI | InChI=1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31) | CAS Common Chemistry |
| InChI Key | InChIKey=PWPJGUXAGUPAHP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 166 °C | CAS Common Chemistry |
| Name | Lufenuron | CAS Common Chemistry |
| Heavy Atom Count | 32 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 70.92 Ų | RDKit |
| LogP | 6.680300000000001 | RDKit |
| Molar Refractivity | 97.53050000000002 | RDKit |
