2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol

• ChemBase ID: 8300
• Molecular Formular: C11H3F21O
• Molecular Mass: 550.1073872
• Monoisotopic Mass: 549.98485734
• 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)F)(F)(F)F
• Canonical SMILES: OCC(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)(F)F)(F)F
• InChI: InChI=1S/C11H3F21O/c12-2(13,1-33)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h33H,1H2
• InChIKey: MPAMAEMOVKLPRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol
• IUPAC Traditional name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecan-1-ol
• Synonyms: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoroundecan-1-ol; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Henicosafluoro-1-hydroxyundecane; 1H,1H-Perfluoroundecan-1-ol 95+%; UNDECANOL-5; 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heneicosafluoro-1-undecanol; 1H,1H-Perfluoroundecan-1-ol; 1H,1H-全氟辛基-1-醇

Database IDs

• CAS Number: 307-46-0
• MDL Number: MFCD00153269
• PubChem SID: 24868300; 160971607
• PubChem CID: 2776412

CALCULATED PROPERTIES

• Acid pKa: 12.621079
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.7423034
• LogD (pH = 7.4): 6.742301
• Log P: 6.7423034
• Molar Refractivity: 55.7234 cm^3
• Polarizability: 22.248459 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 102-105 °C(lit.); 102-105°C
• Boiling Point: 143 °C/80 mmHg(lit.); 143°C/80mm

Safety Information

• Storage Warning: Irritant
• German water hazard class: 3
• TSCA Listed: false
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%
• Linear Formula: CF3(CF2)9CH2OH

DETAILS

MP Biomedicals - 05223186

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 446858

Packaging
5 g in glass bottle