[3-(4-Fluorophenoxy)phenyl]methyl 1-(4-ethoxyphenyl)-2,2-difluorocyclopropane-1-carboxylate
Basic information
- CAS
101492-40-4- Standard SMILES
CCOc1ccc(C2(C(=O)OCc3cccc(Oc4ccc(F)cc4)c3)CC2(F)F)cc1- InChIKey
YIHABXQFYCRMFQ-UHFFFAOYSA-N- Molecular formula
- C25H21F3O4
- Average molar mass
- 442.4 g/mol
- Monoisotopic mass
- 442.13919363
Names & identifiers
- Preferred name
- [3-(4-Fluorophenoxy)phenyl]methyl 1-(4-ethoxyphenyl)-2,2-difluorocyclopropane-1-carboxylate
- IUPAC
- [3-(4-fluorophenoxy)phenyl]methyl 1-(4-ethoxyphenyl)-2,2-difluorocyclopropane-1-carboxylate
Names & synonyms
101492-40-4[3-(4-fluorophenoxy)phenyl]methyl 1-(4-ethoxyphenyl)-2,2-difluorocyclopropane-1-carboxylateDTXSID90906264Cyclopropanecarboxylic acid, 1-(4-ethoxyphenyl)-2,2-difluoro-, (3-(4-fluorophenoxy)phenyl)methyl ester
Database identifiers
- CAS
101492-40-4- PubChem CID
- 181002
- DTXSID
DTXSID90906264
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 629
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