(2,2,3,3-tetrafluorocyclobutyl)methanol

• ChemBase ID: 232759
• Molecular Formular: C5H6F4O
• Molecular Mass: 158.0941528
• Monoisotopic Mass: 158.03547769
• SMILES: C1(C(CC1CO)(F)F)(F)F
• Canonical SMILES: OCC1CC(C1(F)F)(F)F
• InChI: InChI=1S/C5H6F4O/c6-4(7)1-3(2-10)5(4,8)9/h3,10H,1-2H2
• InChIKey: DIXNZPIYNXRZEQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2,3,3-tetrafluorocyclobutyl)methanol
• IUPAC Traditional name: (2,2,3,3-tetrafluorocyclobutyl)methanol
• Synonyms: (2,2,3,3-tetrafluorocyclobutyl)methanol

Database IDs

• CAS Number: 378-17-6
• MDL Number: MFCD00039435
• PubChem SID: 164288669
• PubChem CID: 101666

CALCULATED PROPERTIES

• Acid pKa: 15.2566185
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.824929
• LogD (pH = 7.4): 0.824929
• Log P: 0.824929
• Molar Refractivity: 25.0511 cm^3
• Polarizability: 9.521282 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.38

Product Information

• Purity: 95%