Basic information
- Standard SMILES
CC(C)(C)OC(=O)CCC(=O)c1ccc(OCc2c(F)cccc2F)cc1- InChIKey
GNGKXIOPKLNSJR-UHFFFAOYSA-N- Molecular formula
- C21H22F2O4
- Average molar mass
- 376.4 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 4-(4-(2,6-difluorobenzyloxy)phenyl)-4-oxobutyrate
- IUPAC
- tert-butyl 4-[4-[(2,6-difluorophenyl)methoxy]phenyl]-4-oxobutanoate
Names & synonyms
SCHEMBL6322990GNGKXIOPKLNSJR-UHFFFAOYSA-Ntert-Butyl 4-(4-(2,6-difluorobenzyloxy)phenyl)-4-oxobutyratetert-Butyl-4-(4-(2,6-difluorobenzyloxy)phenyl)-4-oxobutyrate
Database identifiers
- PubChem CID
- 21964483
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 485
Related reactions
18 records
Compound notes
Loading…