Basic information
- Standard SMILES
CC(C)(C)OC(=O)COc1ccc(C#N)cc1F- InChIKey
XVRSPLVJPRNEKG-UHFFFAOYSA-N- Molecular formula
- C13H14FNO3
- Average molar mass
- 251.25 g/mol
- Monoisotopic mass
- 251.09577147
Names & identifiers
- Preferred name
- Tert-butyl (4-cyano-2-fluorophenoxy)acetate
- IUPAC
- tert-butyl 2-(4-cyano-2-fluorophenoxy)acetate
Names & synonyms
XVRSPLVJPRNEKG-UHFFFAOYSA-NTert-butyl (4-cyano-2-fluorophenoxy)acetate
Database identifiers
- PubChem CID
- 86645649
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 59.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 342
Related reactions
2 records
Compound notes
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