Basic information
- Standard SMILES
C[C@@H](Oc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C- InChIKey
ZZVXWQVPLDTRAY-SECBINFHSA-N- Molecular formula
- C14H16FNO3
- Average molar mass
- 265.28 g/mol
Names & identifiers
- Preferred name
- (R)-2-(4-Cyano-3-fluoro-phenoxy)-propionic acid tert-butyl ester
- IUPAC
- tert-butyl (2R)-2-(4-cyano-3-fluorophenoxy)propanoate
Names & synonyms
SCHEMBL5389947ZZVXWQVPLDTRAY-SECBINFHSA-N(R)-2-(4-Cyano-3-fluoro-phenoxy)-propionic acid tert-butyl ester
Database identifiers
- PubChem CID
- 60128047
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 369
Related reactions
1 records
Compound notes
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