(3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate
Basic information
- CAS
101492-18-6- Standard SMILES
CCOc1ccc(C(C(=O)OCc2cccc(Oc3ccccc3)c2)C(F)(F)CCl)cc1- InChIKey
XCKKMXFSXACPGG-UHFFFAOYSA-N- Molecular formula
- C25H23ClF2O4
- Average molar mass
- 460.9 g/mol
- Monoisotopic mass
- 460.1252932
Names & identifiers
- Preferred name
- (3-Phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate
- IUPAC
- (3-phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoate
Names & synonyms
101492-18-6(3-phenoxyphenyl)methyl 4-chloro-2-(4-ethoxyphenyl)-3,3-difluorobutanoateDTXSID40906254Benzeneacetic acid, alpha-(2-chloro-1,1-difluoroethyl)-4-ethoxy-, (3-phenoxyphenyl)methyl ester
Database identifiers
- CAS
101492-18-6- PubChem CID
- 180980
- DTXSID
DTXSID40906254
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 562
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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