3-ethyl-6-(trifluoromethyl)-1H-quinoxalin-2-one
Basic information
- CAS
230953-88-5- Standard SMILES
CCc1nc2cc(C(F)(F)F)ccc2[nH]c1=O- InChIKey
NMELJNVNALPPCH-UHFFFAOYSA-N- Molecular formula
- C11H9F3N2O
- Average molar mass
- 242.2 g/mol
- Monoisotopic mass
- 242.0666974
Names & identifiers
- Preferred name
- 3-ethyl-6-(trifluoromethyl)-1H-quinoxalin-2-one
- IUPAC
- 3-ethyl-6-(trifluoromethyl)-1H-quinoxalin-2-one
Names & synonyms
3-ethyl-6-(trifluoromethyl)-1H-quinoxalin-2-oneCHEMBL5172521DTXSID501242355230953-88-56-Trifluoromethyl-3-ethyl-2(1H)-quinoxalinone3-Ethyl-6-(trifluoromethyl)-2(1H)-quinoxalinone3-Ethyl-6-(trifluoromethyl)quinoxalin-2(1H)-one
Database identifiers
- CAS
230953-88-5- PubChem CID
- 493573
- DTXSID
DTXSID501242355- ChEMBL
CHEMBL5172521- Nikkaji
- J1.127.961I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 351
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Compound notes
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