4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol

• ChemBase ID: 10337
• Molecular Formular: C11H5F17O
• Molecular Mass: 476.1296544
• Monoisotopic Mass: 476.00689452
• SMILES: C(C(C(C(C(C(C(C(/C=C/CO)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: OC/C=C/C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C11H5F17O/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-2,29H,3H2/b2-1+
• InChIKey: SZUDACTYWYPFLY-OWOJBTEDSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol; (2E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol
• IUPAC Traditional name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol; (2E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol
• Synonyms: 1H,1H,2H,3H-Perfluorodec-2-en-1-ol; 3-(Perfluorooctyl)prop-2-en-1-ol 98%; 3-(Perfluorooctyl)prop-2-enol

Database IDs

• CAS Number: 2340-84-3
• MDL Number: MFCD00042361
• PubChem SID: 160973644
• PubChem CID: 5708699

CALCULATED PROPERTIES

• Acid pKa: 15.609708
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.8682337
• LogD (pH = 7.4): 5.8682337
• Log P: 5.8682337
• Molar Refractivity: 56.706 cm^3
• Polarizability: 21.318836 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 82-85°C/8mm
• Density: 1.718
• Refractive Index: 1.33; 1.330

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 98%