7-fluoroquinolin-4-amine

• ChemBase ID: 806365
• Molecular Formular: C9H7FN2
• Molecular Mass: 162.1636832
• Monoisotopic Mass: 162.05932645
• SMILES: c1(cc2c(cc1)c(ccn2)N)F
• Canonical SMILES: Fc1ccc2c(c1)nccc2N
• InChI: InChI=1S/C9H7FN2/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H,(H2,11,12)
• InChIKey: LTTMOJNRHULDIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoroquinolin-4-amine
• IUPAC Traditional name: 7-fluoroquinolin-4-amine
• Synonyms: 4-AMINO-7-FLUOROQUINOLINE

Database IDs

• CAS Number: 948293-49-0

CALCULATED PROPERTIES

• LogD (pH = 7.4): 0.98523355
• Log P: 1.4446764
• Molar Refractivity: 44.8961 cm^3
• Polarizability: 17.72153 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.15262958

PROPERTIES

Product Information

• Purity: 98%