Basic information
- Standard SMILES
CCOC(=O)C(F)(F)C(O)c1cc(F)ccc1Br- InChIKey
PPNRZKQFVJCTIL-UHFFFAOYSA-N- Molecular formula
- C11H10BrF3O3
- Average molar mass
- 327.09 g/mol
Names & identifiers
- Preferred name
- Ethyl 3-(2-bromo-5-fluorophenyl)-2,2-difluoro-3-hydroxypropanoate
- IUPAC
- ethyl 3-(2-bromo-5-fluorophenyl)-2,2-difluoro-3-hydroxypropanoate
Names & synonyms
ethyl 3-(2-bromo-5-fluorophenyl)-2,2-difluoro-3-hydroxypropanoateSCHEMBL15093901ethyl 3-(2-bromo-5-fluoro-phenyl)-2,2-difluoro-3-hydroxy-propanoate
Database identifiers
- PubChem CID
- 89676971
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 301
Related reactions
2 records
Compound notes
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