[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
Basic information
- CAS
851458-02-1- Standard SMILES
O=C(COC(=O)c1ccc2ccccc2c1O)NCC(F)(F)F- InChIKey
JMDQOJVDZVOJCU-UHFFFAOYSA-N- Molecular formula
- C15H12F3NO4
- Average molar mass
- 327.25 g/mol
- Monoisotopic mass
- 327.07184235
Names & identifiers
- Preferred name
- [2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
- IUPAC
- [2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate
Names & synonyms
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 1-hydroxynaphthalene-2-carboxylateMLS000761173CHEMBL1478061DTXSID201326693HMS2752L24AKOS033589853851458-02-1SMR000365293Z178706272-Oxo-2-[(2,2,2-trifluoroethyl)amino]ethyl 1-hydroxynaphthalene-2-carboxylate
Database identifiers
- CAS
851458-02-1- PubChem CID
- 4882544
- DTXSID
DTXSID201326693- ChEMBL
CHEMBL1478061
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 441
Experimental & physicochemical properties
Solubility2.5 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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