(3-fluorooxetan-3-yl)methanol

• ChemBase ID: 65405
• Molecular Formular: C4H7FO2
• Molecular Mass: 106.0955832
• Monoisotopic Mass: 106.04300768
• SMILES: C1(COC1)(CO)F
• Canonical SMILES: OCC1(F)COC1
• InChI: InChI=1S/C4H7FO2/c5-4(1-6)2-7-3-4/h6H,1-3H2
• InChIKey: BBAFPURKVADOED-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-fluorooxetan-3-yl)methanol
• IUPAC Traditional name: (3-fluorooxetan-3-yl)methanol
• Synonyms: 3-Fluoro-3-oxetanemethanol

Database IDs

• CAS Number: 865451-85-0
• MDL Number: MFCD14706188
• PubChem SID: 162031144
• PubChem CID: 45480380

CALCULATED PROPERTIES

• Acid pKa: 13.887534
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.552552
• LogD (pH = 7.4): -0.5525521
• Log P: -0.552552
• Molar Refractivity: 21.4958 cm^3
• Polarizability: 8.581627 Å^3
• Polar Surface Area: 29.46 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%