3,3-difluorocyclobutan-1-ol

• ChemBase ID: 294683
• Molecular Formular: C4H6F2O
• Molecular Mass: 108.0866464
• Monoisotopic Mass: 108.03867125
• SMILES: OC1CC(F)(F)C1
• Canonical SMILES: OC1CC(C1)(F)F
• InChI: InChI=1S/C4H6F2O/c5-4(6)1-3(7)2-4/h3,7H,1-2H2
• InChIKey: BFLCYDVYEGKWSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,3-difluorocyclobutan-1-ol
• IUPAC Traditional name: 3,3-difluorocyclobutan-1-ol
• Synonyms: 3,3-Difluorocyclobutanol

Database IDs

• CAS Number: 637031-88-0
• MDL Number: MFCD18791191
• PubChem SID: 180680214
• PubChem CID: 22500954

CALCULATED PROPERTIES

• Acid pKa: 15.145022
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.610914
• LogD (pH = 7.4): 0.610914
• Log P: 0.610914
• Molar Refractivity: 19.5341 cm^3
• Polarizability: 7.736141 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%