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Basic information
- Standard SMILES
CC(C)(C)OC(=O)c1cc(-c2ccc(F)cc2F)cc(C(O)C(F)F)c1- InChIKey
JIFGEVZESWMAGI-UHFFFAOYSA-N- Molecular formula
- C19H18F4O3
- Average molar mass
- 370.3 g/mol
- Monoisotopic mass
- 370.11920708
Names & identifiers
- Preferred name
- Tert-butyl 5-(2,2-difluoro-1-hydroxyethyl)-2',4'-difluorobiphenyl-3-carboxylate
- IUPAC
- tert-butyl 3-(2,2-difluoro-1-hydroxyethyl)-5-(2,4-difluorophenyl)benzoate
Names & synonyms
tert-butyl 5-(2,2-difluoro-1-hydroxyethyl)-2',4'-difluorobiphenyl-3-carboxylateSCHEMBL3069023
Database identifiers
- PubChem CID
- 68500331
Properties
Computed structural propertiesFilling in
- XLogP
- 4.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 480
Related reactions
3 records
Compound notes
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