2-fluoro-6-methylnaphthalene

• ChemBase ID: 96182
• Molecular Formular: C11H9F
• Molecular Mass: 160.1875632
• Monoisotopic Mass: 160.06882851
• SMILES: Fc1ccc2c(c1)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)ccc(c2)F
• InChI: InChI=1S/C11H9F/c1-8-2-3-10-7-11(12)5-4-9(10)6-8/h2-7H,1H3
• InChIKey: IKKGPHTUCGWMPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-fluoro-6-methylnaphthalene
• IUPAC Traditional name: 2-fluoro-6-methylnaphthalene
• Synonyms: 2-fluoro-6-methylnaphthalene

Database IDs

• CAS Number: 324-42-5
• MDL Number: MFCD00831714
• PubChem SID: 162082831
• PubChem CID: 2727845

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.618846
• LogD (pH = 7.4): 3.618846
• Log P: 3.618846
• Molar Refractivity: 47.7658 cm^3
• Polarizability: 19.288708 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%