6-fluoroquinoxaline

• ChemBase ID: 97455
• Molecular Formular: C8H5FN2
• Molecular Mass: 148.1371032
• Monoisotopic Mass: 148.04367639
• SMILES: n1ccnc2c1cc(cc2)F
• Canonical SMILES: Fc1ccc2c(c1)nccn2
• InChI: InChI=1S/C8H5FN2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H
• InChIKey: JIXCXZJOGOGGIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoroquinoxaline
• IUPAC Traditional name: 6-fluoroquinoxaline
• Synonyms: 6-Fluoroquinoxaline

Database IDs

• MDL Number: MFCD03094247
• PubChem SID: 162084062
• PubChem CID: 2778340

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4417603
• LogD (pH = 7.4): 1.4417801
• Log P: 1.4417803
• Molar Refractivity: 37.6668 cm^3
• Polarizability: 15.700266 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant