2-(propan-2-yloxy)-6-(trifluoromethyl)pyridine

• ChemBase ID: 290786
• Molecular Formular: C9H10F3NO
• Molecular Mass: 205.1770096
• Monoisotopic Mass: 205.07144861
• SMILES: FC(c1cccc(OC(C)C)n1)(F)F
• Canonical SMILES: CC(Oc1cccc(n1)C(F)(F)F)C
• InChI: InChI=1S/C9H10F3NO/c1-6(2)14-8-5-3-4-7(13-8)9(10,11)12/h3-6H,1-2H3
• InChIKey: HOZWPCFCUHYPBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yloxy)-6-(trifluoromethyl)pyridine
• IUPAC Traditional name: 2-isopropoxy-6-(trifluoromethyl)pyridine
• Synonyms: 2-Isopropoxy-6-(trifluoromethyl)pyridine

Database IDs

• CAS Number: 1255574-41-4
• PubChem SID: 180676317
• PubChem CID: 53217421

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.2294412
• LogD (pH = 7.4): 3.2294414
• Log P: 3.2294414
• Molar Refractivity: 45.4469 cm^3
• Polarizability: 16.849329 Å^3
• Polar Surface Area: 22.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%