Trifop-methyl

HCID 94586

Notes Reactions

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Basic information

CAS: 58594-77-7
Standard SMILES: COC(=O)C(C)Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIKey: MDXGYOOITGBCBW-UHFFFAOYSA-N
Molecular formula: C17H15F3O4
Average molar mass: 340.29 g/mol
Monoisotopic mass: 340.09224362

Names & identifiers

Preferred name: Trifop-methyl
IUPAC: methyl 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
English name: methyl 2-[p-[p-(trifluoromethyl)phenoxy]phenoxy]propionate
Molecular formula: C17H15F3O4
Molecular weight: 340.29

Names & synonyms

Trifop-methyl58594-77-7Trifop-methyl [ISO]UNII-L9Z1XK4D7ZL9Z1XK4D7ZMETRIFLUFENEINECS 261-352-0HOE-29152DTXSID10886276Propanoic acid, 2-(4-(4-(trifluoromethyl)phenoxy)phenoxy)-, methyl esterPropanoic acid, 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]-, methyl estermethyl 2-(4-(4-trifluoromethylphenoxy)phenoxy)propionate

Show more names

2-[4-(4-Trifluoromethylphenoxy)phenoxy]propionic acid methyl ester

Methyl 2-[4-(4-trifluoromethylphenoxy)phenoxy]propionateRefChem:191615DTXCID001025611261-352-0METHYL 2-[P-[P-(TRIFLUOROMETHYL)PHENOXY]PHENOXY]PROPIONATEMethyl 2-(p-(p-(trifluoromethyl)phenoxy)phenoxy)propionateSCHEMBL158783METHYL 2-{4-[4-(TRIFLUOROMETHYL)PHENOXY]PHENOXY}PROPANOATE

Database identifiers

CAS: 58594-77-7
PubChem CID: 94586
DTXSID: DTXSID10886276
UNII: L9Z1XK4D7Z
EC Number: 261-352-0
Nikkaji: J13.830D

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 397

Physicochemical properties

Boiling point: 379.9 · 379.9±42.0 °C(Predicted)
Density: 1.256 · 1.256±0.06 g/cm3(Predicted)
FDA UNII: 9 Z1XK4D7Z · L9Z1XK4D7Z
EPA Substance Registry System: 2 · Propanoic acid, 2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]-, methyl ester (58594-77-7)
TSCA: TSCA listed