Basic information
- CAS
62847-51-2- Standard SMILES
O=C(Nc1noc(-c2ccccc2)c1Cl)C(F)(F)F- InChIKey
CWBRIJCUDGJMDT-UHFFFAOYSA-N- Molecular formula
- C11H6ClF3N2O2
- Average molar mass
- 290.62 g/mol
- Monoisotopic mass
- 290.0069896
Names & identifiers
- Preferred name
- N-(4-Chloro-5-phenyl-3-isoxazolyl)-2,2,2-trifluoroacetamide
- IUPAC
- N-(4-chloro-5-phenyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide
Names & synonyms
CHEMBL3276969DTXSID601190296N-(4-Chloro-5-phenyl-3-isoxazolyl)-2,2,2-trifluoroacetamide62847-51-2N-(4-Chloro-5-phenyl-1,2-oxazol-3-yl)-2,2,2-trifluoroacetamide
Database identifiers
- CAS
62847-51-2- PubChem CID
- 12371362
- DTXSID
DTXSID601190296- ChEMBL
CHEMBL3276969
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…