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Molecule
Flonicamid
CAS: 158062-67-0 · C9H6F3N3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 158062-67-0
- Molecular Formula
- C9H6F3N3O
- Molecular Mass
- 229.16 g/mol
Identifiers
CAS Registry Number
158062-67-0
SMILES
N#CCN=C(O)c1cnccc1C(F)(F)F
InChI Key
RLQJEEJISHYWON-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16)
Names and Synonyms
- Flonicamid Synonym
- 3-Pyridinecarboxamide, N-(cyanomethyl)-4-(trifluoromethyl)- Synonym
- Flonicamid Synonym
- F 1785 Synonym
- Carbine Synonym
- F 1785-03-1 Synonym
- Aria Synonym
- Teppeki Synonym
- Beleaf Synonym
- Ulala Synonym
- Carbine (insecticide) Synonym
- Ulala DF Synonym
- Aria (insecticide) Synonym
- N-Cyanomethyl-4-(trifluoromethyl)nicotinamide Synonym
- N-(Cyanomethyl)-4-(trifluoromethyl)-3-pyridinecarboxamide Synonym
- IKI 220 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 229.16 g/mol | CAS Common Chemistry |
| 229.16099999999994 g/mol | RDKit | |
| 229.161 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Flonicamid | CAS Common Chemistry |
| Canonical SMILES | N#CCNC(=O)C=1C=NC=CC1C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C9H6F3N3O/c10-9(11,12)7-1-3-14-5-6(7)8(16)15-4-2-13/h1,3,5H,4H2,(H,15,16) | CAS Common Chemistry |
| InChI Key | InChIKey=RLQJEEJISHYWON-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Flonicamid | CAS Common Chemistry |
| Heavy Atom Count | 16 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.27 Ų | RDKit |
| LogP | 1.9285800000000002 | RDKit |
| 1.9286 | RDKit | |
| Molar Refractivity | 48.884800000000006 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2222 | RDKit |
| 0.22 | chempirical lib | |
| Exact Mass | 229.046296472 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| 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.
External Resources
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MW = 229.16 g/mol. Edit any field — others recompute live.
