2,2,2-trifluoro-N-(non-8-en-1-yl)acetamide

• ChemBase ID: 800386
• Molecular Formular: C11H18F3NO
• Molecular Mass: 237.2619296
• Monoisotopic Mass: 237.13404886
• SMILES: C(C(=O)NCCCCCCCC=C)(F)(F)F
• Canonical SMILES: C=CCCCCCCCNC(=O)C(F)(F)F
• InChI: InChI=1S/C11H18F3NO/c1-2-3-4-5-6-7-8-9-15-10(16)11(12,13)14/h2H,1,3-9H2,(H,15,16)
• InChIKey: LKNQDTOUAMBPBK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoro-N-(non-8-en-1-yl)acetamide
• IUPAC Traditional name: 2,2,2-trifluoro-N-(non-8-en-1-yl)acetamide
• Synonyms: 2,2,2-trifluoro-N-(non-8-enyl)acetamide

Database IDs

• CAS Number: 183439-15-8

CALCULATED PROPERTIES

• Acid pKa: 6.89847
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.553432
• LogD (pH = 7.4): 3.0821211
• Log P: 3.5684707
• Molar Refractivity: 57.2955 cm^3
• Polarizability: 21.2569 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%