12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol

• ChemBase ID: 98762
• Molecular Formular: C17H21F13O
• Molecular Mass: 488.3272816
• Monoisotopic Mass: 488.13848215
• SMILES: OCCCCCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCCCCCCCC/C=C/C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C17H21F13O/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h8,10,31H,1-7,9,11H2
• InChIKey: OCVCPUQNCRNBAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol
• IUPAC Traditional name: 12,12,13,13,14,14,15,15,16,16,17,17,17-tridecafluoroheptadec-10-en-1-ol
• Synonyms: 11-(Perfluoro-n-hexyl)undec-10-en-1-ol 97%

Database IDs

• MDL Number: MFCD00236707
• PubChem SID: 162085131
• PubChem CID: 5708694

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 7.8675904
• LogD (pH = 7.4): 7.8675904
• Log P: 7.8675904
• Molar Refractivity: 84.332 cm^3
• Polarizability: 30.878704 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 15
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 130°C/3mm

Safety Information

• Storage Warning: Irritant