7,7,8,8,9,9,10,10,10-nonafluorodecan-1-ol

• ChemBase ID: 99984
• Molecular Formular: C10H13F9O
• Molecular Mass: 320.1952488
• Monoisotopic Mass: 320.08226902
• SMILES: OCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: OCCCCCCC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H13F9O/c11-7(12,5-3-1-2-4-6-20)8(13,14)9(15,16)10(17,18)19/h20H,1-6H2
• InChIKey: QZDCHCYMFXJOCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7,7,8,8,9,9,10,10,10-nonafluorodecan-1-ol
• IUPAC Traditional name: 7,7,8,8,9,9,10,10,10-nonafluorodecan-1-ol
• Synonyms: 7,7,8,8,9,9,10,10,10-Nonafluorodecan-1-ol; 6-(Nonafluorobutyl)hexanol

Database IDs

• MDL Number: MFCD00153219
• PubChem SID: 162086230
• PubChem CID: 2775809

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.220774
• LogD (pH = 7.4): 4.220774
• Log P: 4.220774
• Molar Refractivity: 51.1388 cm^3
• Polarizability: 18.971684 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.378
• Refractive Index: 1.36

Safety Information

• Storage Warning: Flammable