heptadecafluorooctan-1-ol

• ChemBase ID: 110582
• Molecular Formular: C8HF17O
• Molecular Mass: 436.0657944
• Monoisotopic Mass: 435.97559439
• SMILES: OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• Canonical SMILES: OC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C8HF17O/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26/h26H
• InChIKey: UQDUPHDELLQMOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: heptadecafluorooctan-1-ol
• IUPAC Traditional name: heptadecafluorooctan-1-ol
• Synonyms: DIHYDROPERFLUOROOCTANOL

Database IDs

• CAS Number: 307-30-2
• PubChem SID: 162096156
• PubChem CID: 14571268

CALCULATED PROPERTIES

• Acid pKa: 4.464167
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.4191265
• LogD (pH = 7.4): 2.8226938
• Log P: 5.488514
• Molar Refractivity: 42.2845 cm^3
• Polarizability: 16.870594 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: false

DETAILS

MP Biomedicals - 05215609

MP Biomedicals Rare Chemical collection