Basic information
- Standard SMILES
COC(=O)[C@@H](C)Oc1ccc(CN)c(F)c1- InChIKey
AWCCZOIODVXLHI-SSDOTTSWSA-N- Molecular formula
- C11H14FNO3
- Average molar mass
- 227.23 g/mol
- Monoisotopic mass
- 227.09577147
Names & identifiers
- Preferred name
- (R)-2-(4-aminomethyl-3-fluoro-phenoxy)-propionic acid methyl ester
- IUPAC
- methyl (2R)-2-[4-(aminomethyl)-3-fluorophenoxy]propanoate
Names & synonyms
SCHEMBL5384644AWCCZOIODVXLHI-SSDOTTSWSA-N(R)-2-(4-aminomethyl-3-fluoro-phenoxy)-propionic acid methyl ester
Database identifiers
- PubChem CID
- 60128049
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 237
Related reactions
2 records
Compound notes
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