2-(trifluoromethyl)-6-(trimethylsilyl)quinoline

• ChemBase ID: 100675
• Molecular Formular: C13H14F3NSi
• Molecular Mass: 269.3376696
• Monoisotopic Mass: 269.08476065
• SMILES: n1c(ccc2c1ccc(c2)[Si](C)(C)C)C(F)(F)F
• Canonical SMILES: FC(c1ccc2c(n1)ccc(c2)[Si](C)(C)C)(F)F
• InChI: InChI=1S/C13H14F3NSi/c1-18(2,3)10-5-6-11-9(8-10)4-7-12(17-11)13(14,15)16/h4-8H,1-3H3
• InChIKey: OPEFURRNQIXFCK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(trifluoromethyl)-6-(trimethylsilyl)quinoline
• IUPAC Traditional name: 2-(trifluoromethyl)-6-(trimethylsilyl)quinoline
• Synonyms: 2-(Trifluoromethyl)-6-(trimethylsilyl)quinoline

Database IDs

• MDL Number: MFCD01862078
• PubChem SID: 162087488
• PubChem CID: 2777918

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.00249
• LogD (pH = 7.4): 5.0025
• Log P: 5.0025
• Molar Refractivity: 61.6446 cm^3
• Polarizability: 26.342613 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant