Basic information
- Standard SMILES
CCOC(=O)C(C)(C)Oc1cc(N)cc(C(F)(F)F)c1- InChIKey
JXKZXSOIOBEPKO-UHFFFAOYSA-N- Molecular formula
- C13H16F3NO3
- Average molar mass
- 291.27 g/mol
Names & identifiers
- Preferred name
- 2-(3-Amino-5-trifluoromethyl-phenoxy)-2-methyl-propionic acid ethyl ester
- IUPAC
- ethyl 2-[3-amino-5-(trifluoromethyl)phenoxy]-2-methylpropanoate
Names & synonyms
2-(3-Amino-5-trifluoromethyl-phenoxy)-2-methyl-propionic acid ethyl esterSCHEMBL1550125
Database identifiers
- PubChem CID
- 67072425
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 344
Related reactions
4 records
Compound notes
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