(3,3-difluoropyrrolidin-2-yl)methanol

• ChemBase ID: 244050
• Molecular Formular: C5H9F2NO
• Molecular Mass: 137.1278664
• Monoisotopic Mass: 137.06522035
• SMILES: OCC1NCCC1(F)F
• Canonical SMILES: OCC1NCCC1(F)F
• InChI: InChI=1S/C5H9F2NO/c6-5(7)1-2-8-4(5)3-9/h4,8-9H,1-3H2
• InChIKey: RUOBXKUCDKNKRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD19224893
• PubChem SID: 164299960
• PubChem CID: 10534713

CALCULATED PROPERTIES

• Acid pKa: 14.923876
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8147055
• LogD (pH = 7.4): -0.27726516
• Log P: -0.023792522
• Molar Refractivity: 27.8067 cm^3
• Polarizability: 11.010868 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.022

Product Information

• Purity: null%