2-(2,2-difluorocyclopropyl)ethan-1-ol

• ChemBase ID: 801485
• Molecular Formular: C5H8F2O
• Molecular Mass: 122.1132264
• Monoisotopic Mass: 122.05432132
• SMILES: C(CC1C(C1)(F)F)O
• Canonical SMILES: OCCC1CC1(F)F
• InChI: InChI=1S/C5H8F2O/c6-5(7)3-4(5)1-2-8/h4,8H,1-3H2
• InChIKey: JQUVNIOCBXWPHL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,2-difluorocyclopropyl)ethan-1-ol
• IUPAC Traditional name: 2-(2,2-difluorocyclopropyl)ethanol
• Synonyms: 2-(2,2-DIFLUOROCYCLOPROPYL)ETHANOL

CALCULATED PROPERTIES

• Acid pKa: 15.954796
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.3077758
• LogD (pH = 7.4): 0.3077758
• Log P: 0.3077758
• Molar Refractivity: 25.3449 cm^3
• Polarizability: 9.500309 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%