Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(Oc2ccc(Br)c(F)c2C=O)CC1- InChIKey
ZRJXNQMYURFQRW-UHFFFAOYSA-N- Molecular formula
- C17H21BrFNO4
- Average molar mass
- 402.3 g/mol
Names & identifiers
- Preferred name
- 4-(4-Bromo-3-fluoro-2-formyl-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester
- IUPAC
- tert-butyl 4-(4-bromo-3-fluoro-2-formylphenoxy)piperidine-1-carboxylate
Names & synonyms
SCHEMBL275679ZRJXNQMYURFQRW-UHFFFAOYSA-N4-(4-bromo-3-fluoro-2-formyl-phenoxy)-piperidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 57743445
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 448
Related reactions
2 records
Compound notes
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