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

• ChemBase ID: 6751
• Molecular Formular: C11H4F20O
• Molecular Mass: 532.116924
• Monoisotopic Mass: 531.99427915
• SMILES: C(CO)(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
• 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
• InChI: InChI=1S/C11H4F20O/c12-2(13)4(16,17)6(20,21)8(24,25)10(28,29)11(30,31)9(26,27)7(22,23)5(18,19)3(14,15)1-32/h2,32H,1H2
• InChIKey: GJYLSFCFHFUODO-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-icosafluoroundecan-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-icosafluoroundecan-1-ol
• Synonyms: 1H,1H,11H-Eicosafluoro-1-undecanol, tech.; 1H,1H,11H-Eicosafluoroundecan-1-ol; 1H,1H,11H-Perfluoro-1-undecanol; 1H,1H,11H-Perfluoroundecan-1-ol 85%; 1H, 1H, 11H-EICOSAFLUOROUNDECANOL-1; 1H,1H,11H-全氟-1-十一醇

Database IDs

• CAS Number: 307-70-0
• EC Number: 206-209-5
• MDL Number: MFCD00039628
• PubChem SID: 160970058
• PubChem CID: 67548

CALCULATED PROPERTIES

• Acid pKa: 12.621079
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 6.253543
• LogD (pH = 7.4): 6.2535405
• Log P: 6.253543
• Molar Refractivity: 54.8337 cm^3
• Polarizability: 22.062883 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 90-95°C; 95°C; 95-97°C
• Boiling Point: 180°C; 180-181°C/200mm; 180-181°C/200mm

Safety Information

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

Product Information

• Purity: 85+%; tech. 85%

DETAILS

MP Biomedicals - 05204414

MP Biomedicals Rare Chemical collection

Apollo Scientific Ltd - PC3150

Contains up to 13% H(CF2CF2)nCHOH(CF2CF2)mH where m+n=5