4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pentan-1-ol

• ChemBase ID: 99244
• Molecular Formular: C8H7F11O2
• Molecular Mass: 344.1224152
• Monoisotopic Mass: 344.02703988
• SMILES: O(C(F)(C(F)(F)C(F)(F)F)F)C(C(F)(F)F)(CCCO)F
• Canonical SMILES: OCCCC(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8H7F11O2/c9-4(2-1-3-20,6(12,13)14)21-8(18,19)5(10,11)7(15,16)17/h20H,1-3H2
• InChIKey: UDRGWQXICZMATL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pentan-1-ol
• IUPAC Traditional name: 4,5,5,5-tetrafluoro-4-(heptafluoropropoxy)pentan-1-ol
• Synonyms: 4,5,5,5-Tetrafluoro-4-(heptafluoropropoxy)pentan-1-ol 97%

Database IDs

• MDL Number: MFCD00155940
• PubChem SID: 162085530
• PubChem CID: 2776688

CALCULATED PROPERTIES

• Acid pKa: 15.964188
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.872456
• LogD (pH = 7.4): 3.872456
• Log P: 3.872456
• Molar Refractivity: 44.8151 cm^3
• Polarizability: 16.702381 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable