5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iododecan-1-ol

• ChemBase ID: 99880
• Molecular Formular: C10H8F13IO
• Molecular Mass: 518.0536316
• Monoisotopic Mass: 517.94122974
• SMILES: OCCC(CC(F)(F)C(F)(F)C(C(F)(F)C(F)(F)C(F)(F)F)(F)F)I
• Canonical SMILES: OCCC(CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)I
• InChI: InChI=1S/C10H8F13IO/c11-5(12,3-4(24)1-2-25)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h4,25H,1-3H2
• InChIKey: JOBQGMQWGMDRPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iododecan-1-ol
• IUPAC Traditional name: 5,5,6,6,7,7,8,8,9,9,10,10,10-tridecafluoro-3-iododecan-1-ol
• Synonyms: 3-Iodo-1H,1H,2H,2H,3H,4H,4H-perfluorodecan-1-ol

Database IDs

• MDL Number: MFCD09864676
• PubChem SID: 162086127
• PubChem CID: 13680173

CALCULATED PROPERTIES

• Acid pKa: 15.93926
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.5062475
• LogD (pH = 7.4): 5.5062475
• Log P: 5.5062475
• Molar Refractivity: 63.6635 cm^3
• Polarizability: 24.947353 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Flammable