1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-hentriacontafluoropentadecane

• ChemBase ID: 100847
• Molecular Formular: C15HF31
• Molecular Mass: 770.1189392
• Monoisotopic Mass: 769.95832485
• SMILES: FC(C(F)(F)C(C(F)(F)C(F)(F)C(C(F)(C(F)(F)C(F)F)F)(F)F)(F)F)(C(F)(F)C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)F
• Canonical SMILES: FC(C(C(C(C(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)F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C15HF31/c16-1(17)2(18,19)3(20,21)4(22,23)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)11(36,37)12(38,39)13(40,41)14(42,43)15(44,45)46/h1H
• InChIKey: PDDRBYZLZVCYKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-hentriacontafluoropentadecane
• IUPAC Traditional name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-hentriacontafluoropentadecane
• Synonyms: 1H-Perfluoropentadecane 97%

Database IDs

• CAS Number: 66826-88-8
• MDL Number: MFCD08458168
• PubChem SID: 162087078
• PubChem CID: 21666129

CALCULATED PROPERTIES

• Acid pKa: 19.78678
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 10.701312
• LogD (pH = 7.4): 10.701312
• Log P: 10.701312
• Molar Refractivity: 72.6635 cm^3
• Polarizability: 29.51918 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 14
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Irritant