Basic information
- Standard SMILES
CC(C)(C)OC(=O)CCc1ccc(N)c(F)c1- InChIKey
PPJYYYPTDRFUKJ-UHFFFAOYSA-N- Molecular formula
- C13H18FNO2
- Average molar mass
- 239.29 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 3-(4-amino-3-fluorophenyl)propanoate
- IUPAC
- tert-butyl 3-(4-amino-3-fluorophenyl)propanoate
Names & synonyms
tert-butyl 3-(4-amino-3-fluorophenyl)propanoate1162676-52-9SCHEMBL1094441PPJYYYPTDRFUKJ-UHFFFAOYSA-NDB-373949EN300-277271941,1-Dimethylethyl 4-amino-3-fluorobenzenepropanoate3-(4-amino-3-fluoro-phenyl)-propionic acid tert-butyl ester
Database identifiers
- PubChem CID
- 66905628
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 263
Related reactions
6 records
Compound notes
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