(3-fluoropyrrolidin-2-yl)methanol

• ChemBase ID: 244049
• Molecular Formular: C5H10FNO
• Molecular Mass: 119.1374032
• Monoisotopic Mass: 119.07464217
• SMILES: OCC1NCCC1F
• Canonical SMILES: OCC1NCCC1F
• InChI: InChI=1S/C5H10FNO/c6-4-1-2-7-5(4)3-8/h4-5,7-8H,1-3H2
• InChIKey: RFRYQAMOEBZDCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22628431
• PubChem SID: 164299959
• PubChem CID: 71757398

CALCULATED PROPERTIES

• Acid pKa: 15.025006
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.7569113
• LogD (pH = 7.4): -2.366211
• Log P: -0.6740218
• Molar Refractivity: 27.8227 cm^3
• Polarizability: 11.124684 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.165

Product Information

• Purity: null%