6-(trifluoromethoxy)quinoxaline hydrochloride

• ChemBase ID: 796413
• Molecular Formular: C9H6ClF3N2O
• Molecular Mass: 250.6049496
• Monoisotopic Mass: 250.01207516
• SMILES: Cl.c1cc2c(cc1OC(F)(F)F)nccn2
• Canonical SMILES: FC(Oc1ccc2c(c1)nccn2)(F)F.Cl
• InChI: InChI=1S/C9H5F3N2O.ClH/c10-9(11,12)15-6-1-2-7-8(5-6)14-4-3-13-7;/h1-5H;1H
• InChIKey: XHBSJDDBVXHFJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(trifluoromethoxy)quinoxaline hydrochloride
• IUPAC Traditional name: 6-(trifluoromethoxy)quinoxaline hydrochloride
• Synonyms: 6-(TrifluoroMethoxy)quinoxaline hydrochloride

Database IDs

• CAS Number: 1215206-23-7

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7301114
• LogD (pH = 7.4): 2.730189
• Log P: 2.73019
• Molar Refractivity: 40.5207 cm^3
• Polarizability: 17.874342 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%