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

• ChemBase ID: 100849
• Molecular Formular: C11HF23
• Molecular Mass: 570.0889136
• Monoisotopic Mass: 569.97109909
• SMILES: FC(C(F)(F)C(F)(F)F)(F)C(C(C(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(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)F
• InChI: InChI=1S/C11HF23/c12-1(13)2(14,15)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)34/h1H
• InChIKey: JVCGTOWAALQOTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoroundecane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoroundecane
• Synonyms: 1H-Perfluoroundecane 97%

Database IDs

• CAS Number: 66256-53-9
• MDL Number: MFCD08458170
• PubChem SID: 162086655
• PubChem CID: 19741781

CALCULATED PROPERTIES

• Acid pKa: 19.78678
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 7.8987412
• LogD (pH = 7.4): 7.8987412
• Log P: 7.8987412
• Molar Refractivity: 53.9915 cm^3
• Polarizability: 21.846422 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant