6-tert-butyl-2,3-difluoropyridine

• ChemBase ID: 801876
• Molecular Formular: C9H11F2N
• Molecular Mass: 171.1871464
• Monoisotopic Mass: 171.0859558
• SMILES: n1c(c(ccc1C(C)(C)C)F)F
• Canonical SMILES: Fc1ccc(nc1F)C(C)(C)C
• InChI: InChI=1S/C9H11F2N/c1-9(2,3)7-5-4-6(10)8(11)12-7/h4-5H,1-3H3
• InChIKey: SCUIZXXMJIRECS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-tert-butyl-2,3-difluoropyridine
• IUPAC Traditional name: 6-tert-butyl-2,3-difluoropyridine
• Synonyms: 6-TERT-BUTYL-2,3-DIFLUOROPYRIDINE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3658144
• LogD (pH = 7.4): 3.3658144
• Log P: 3.3658144
• Molar Refractivity: 43.6425 cm^3
• Polarizability: 16.102201 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%