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Molecule
Cyfluthrin
CAS: 68359-37-5 · C22H18Cl2FNO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 68359-37-5
- Molecular Formula
- C22H18Cl2FNO3
- Molecular Mass
- 434.29 g/mol
Identifiers
CAS Registry Number
68359-37-5
SMILES
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c1ccc(F)c(Oc2ccccc2)c1
InChI Key
QQODLKZGRKWIFG-UHFFFAOYSA-N
InChI
InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3
Names and Synonyms
- Cyfluthrin Common Name
- Cyclopropanecarboxylic acid, 3-(2,2-dichloroethenyl)-2,2-dimethyl-, cyano(4-fluoro-3-phenoxyphenyl)methyl ester Synonym
- Cyfluthrin Synonym
- BAY-FCR 1272 Synonym
- Baythroid Synonym
- FCR 1272 Synonym
- α-Cyano-3-phenoxy-4-fluorobenzyl 2,2-dimethyl-3-(2,2-dichlorovinyl)cyclopropanecarboxylate Synonym
- Eulan SP Synonym
- BAY-Vl 1704 Synonym
- Solfac Synonym
- Tempo 2 Synonym
- Optem PT 600 Synonym
- Renounce Synonym
- Tombstone Synonym
- Preventol HS 12 Synonym
- Tombstone Helios Synonym
- α-Cyano-4-fluoro-3-phenoxybenzyl 3-(2,2-dichlorovinyl)-2,2-dimethylcyclopropanecarboxylate Synonym
- Tempo 20WP Synonym
- Cyfloxylate Synonym
- Solfac 050EW Synonym
- Adalticid Solfak Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 434.29 g/mol | CAS Common Chemistry |
| 434.29400000000015 g/mol | RDKit | |
| 434.294 g/mol | RDKit | |
| 434.288 g/mol | chempirical lib | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyfluthrin | CAS Common Chemistry |
| Canonical SMILES | N#CC(OC(=O)C1C(C=C(Cl)Cl)C1(C)C)C2=CC=C(F)C(OC=3C=CC=CC3)=C2 | CAS Common Chemistry |
| InChI | InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=QQODLKZGRKWIFG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 60 °C | CAS Common Chemistry |
| Name | Cyfluthrin | CAS Common Chemistry |
| Heavy Atom Count | 29 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 59.32000000000001 Ų | RDKit |
| 59.32 Ų | RDKit | |
| LogP | 6.317080000000003 | RDKit |
| 6.3171 | RDKit | |
| Molar Refractivity | 107.91199999999999 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2727 | RDKit |
| 0.27 | chempirical lib | |
| Exact Mass | 433.064777016 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
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.
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MW = 434.29 g/mol. Edit any field — others recompute live.
