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Basic information
- CAS
107713-58-6- Standard SMILES
CCOc1ccc(C(COCc2cccc(Oc3ccc(Cl)cc3)c2)C(F)(F)F)cc1- InChIKey
RURQAJURNPMSSK-UHFFFAOYSA-N- Molecular formula
- C24H22ClF3O3
- Average molar mass
- 450.9 g/mol
- Monoisotopic mass
- 450.1209569
Overview
1-(4-chlorophenoxy)-3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}benzene is an aromatic ether that is [3-(4-chlorophenoxy)phenyl]methanol in which the hydroxy group is replaced by a 2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy group. It is an aromatic ether, an organofluorine compound and a member of monochlorobenzenes.
Names & identifiers
- Preferred name
- Flufenprox
- IUPAC
- 1-chloro-4-[3-[[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl]phenoxy]benzene
- English name
- Benzene,1-(4-chlorophenoxy)-3-[[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl]-
- Molecular formula
- C24H22ClF3O3
- Molecular weight
- 450.88
Names & synonyms
FlufenproxFlufenprox [ISO]107713-58-6118753-05-2ICI-A 5682MRU9XM5C3JPP 682PP-682DTXSID3057931CHEBI:1497641-chloro-4-[3-[[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl]phenoxy]benzene1-(4-chlorophenoxy)-3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}benzene
Show more names
Benzene,1-(4-chlorophenoxy)-3-[[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl]-
Benzene, 1-(4-chlorophenoxy)-3-((2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy)methyl)-1-(4-CHLOROPHENOXY)-3-((2-(4-ETHOXYPHENYL)-3,3,3-TRIFLUOROPROPOXY)METHYL)BENZENE1-chloro-4-(3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}phenoxy)benzenerac-flufenproxracemic flufenprox(RS)-flufenprox1-chloro-4-(3-((2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy)methyl)phenoxy)benzenerac-1-(4-chlorophenoxy)-3-((2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy)methyl)benzene
Database identifiers
- CAS
107713-58-6- PubChem CID
- 86103
- DTXSID
DTXSID3057931
Properties
Computed structural propertiesFilling in
- XLogP
- 6.9
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 503
Physicochemical properties
- Henry's Law Constant
- 2.1 · 2.1×101 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- FDA UNII
- 9 XM5C3J · MRU9XM5C3J
Chemistry & industry
Suppliers1 total
上海杰股生物科技有限公司021-51698675 · [email protected]
Additional notes
DefinitionChEBI: 1-(4-chlorophenoxy)-3-{[2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy]methyl}benzene is an aromatic ether that is [3-(4-chlorophenoxy)phenyl]methanol in which the hydroxy group is replaced by a 2-(4-ethoxyphenyl)-3,3,3-trifluoropropoxy group. It is an aromatic ether, an organofluorine compound and a member of monochlorobenzenes.
Related reactions
2 records
Compound notes
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