8-fluoroquinoline

• ChemBase ID: 63694
• Molecular Formular: C9H6FN
• Molecular Mass: 147.1490432
• Monoisotopic Mass: 147.04842742
• SMILES: c1cc2c(c(c1)F)nccc2
• Canonical SMILES: Fc1cccc2c1nccc2
• InChI: InChI=1S/C9H6FN/c10-8-5-1-3-7-4-2-6-11-9(7)8/h1-6H
• InChIKey: RNAAXKYOTPSFGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-fluoroquinoline
• IUPAC Traditional name: 8-fluoroquinoline
• Synonyms: 8-Fluoroquinoline

Database IDs

• CAS Number: 394-68-3
• MDL Number: MFCD01685514
• PubChem SID: 162029433
• PubChem CID: 67856

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2734873
• LogD (pH = 7.4): 2.273601
• Log P: 2.2736025
• Molar Refractivity: 40.1957 cm^3
• Polarizability: 16.605154 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.235

Safety Information

• Storage Warning: IRRITANT; Irritant/Keep Cold
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 97%