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Molecule
Fluazifop-P-Butyl
CAS: 79241-46-6 · C19H20F3NO4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 79241-46-6
- Molecular Formula
- C19H20F3NO4
- Molecular Mass
- 383.37 g/mol
Identifiers
CAS Registry Number
79241-46-6
SMILES
CCCCOC(=O)[C@@H](C)Oc1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChI Key
VAIZTNZGPYBOGF-CYBMUJFWSA-N
InChI
InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1
Names and Synonyms
- Fluazifop-P-Butyl Common Name
- Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (2R)- Synonym
- Propanoic acid, 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, butyl ester, (R)- Synonym
- PP 005 Synonym
- Fusilade Super Synonym
- Fluazifop-P-butyl Synonym
- Fusilade 2000 Synonym
- (+)-Fluazifop-butyl Synonym
- Fusilade S Synonym
- Fusilade II Synonym
- Fusilade DX Synonym
- Fusilade forte Synonym
- IH 773B Synonym
- ICI-A 0009 Synonym
- ICI-A 0005 Synonym
- Fusilade Max Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 383.37 g/mol | CAS Common Chemistry |
| 383.366 g/mol | RDKit | |
| Boiling Point | 154 °C | CAS Common Chemistry |
| Canonical SMILES | O=C(OCCCC)C(OC1=CC=C(OC2=NC=C(C=C2)C(F)(F)F)C=C1)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3/t13-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=VAIZTNZGPYBOGF-CYBMUJFWSA-N | CAS Common Chemistry |
| Melting Point | 5 °C | CAS Common Chemistry |
| Name | Fluazifop-P-butyl | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 57.650000000000006 Ų | RDKit |
| 57.65 Ų | RDKit | |
| 57.12 Ų | chempirical lib | |
| LogP | 5.003300000000005 | RDKit |
| 5.0033 | RDKit | |
| Molar Refractivity | 91.71200000000003 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3684 | RDKit |
| 0.37 | chempirical lib | |
| Exact Mass | 383.13444278000003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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.
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MW = 383.37 g/mol. Edit any field — others recompute live.
