5-fluoro-2-(trifluoromethyl)pyridin-4-amine

• ChemBase ID: 801961
• Molecular Formular: C6H4F4N2
• Molecular Mass: 180.1029728
• Monoisotopic Mass: 180.03106102
• SMILES: n1c(cc(c(c1)F)N)C(F)(F)F
• Canonical SMILES: Fc1cnc(cc1N)C(F)(F)F
• InChI: InChI=1S/C6H4F4N2/c7-3-2-12-5(1-4(3)11)6(8,9)10/h1-2H,(H2,11,12)
• InChIKey: UXLQUFVYDUXVTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(trifluoromethyl)pyridin-4-amine
• IUPAC Traditional name: 5-fluoro-2-(trifluoromethyl)pyridin-4-amine
• Synonyms: 5-FLUORO-2-(TRIFLUOROMETHYL)PYRIDIN-4-AMINE

Database IDs

• CAS Number: 1260663-77-1

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.3318838
• LogD (pH = 7.4): 1.3330334
• Log P: 1.3330482
• Molar Refractivity: 34.4196 cm^3
• Polarizability: 11.856659 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%