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Molecule
Lufenuron
CAS: 103055-07-8 · C17H8Cl2F8N2O3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 103055-07-8
- Molecular Formula
- C17H8Cl2F8N2O3
- Molecular Mass
- 511.15 g/mol
Identifiers
CAS Registry Number
103055-07-8
SMILES
O=C(N=C(O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl
InChI Key
PWPJGUXAGUPAHP-UHFFFAOYSA-N
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)
Names and Synonyms
- Lufenuron Synonym
- Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluoro- Synonym
- N-[[[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluorobenzamide Synonym
- Lufenuron Synonym
- CGA 184699 Synonym
- Match Synonym
- Match (pesticide) Synonym
- Fluphenacur Synonym
- Program Synonym
- Match 5EC Synonym
- Fuoro Synonym
- (RS)-1-[2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]-3-(2,6-difluorobenzoyl)urea Synonym
- Cigna Synonym
- Mani (insecticide) Synonym
- Mani Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 511.15 g/mol | CAS Common Chemistry |
| 511.15200000000004 g/mol | RDKit | |
| 511.152 g/mol | RDKit | |
| 511.146 g/mol | chempirical lib | |
| 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 |
| 6.6803 | RDKit | |
| Molar Refractivity | 97.53050000000002 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1765 | RDKit |
| 0.18 | chempirical lib | |
| Exact Mass | 509.97842323599997 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 511.15 g/mol. Edit any field — others recompute live.
