3-fluorooxetane

• ChemBase ID: 63883
• Molecular Formular: C3H5FO
• Molecular Mass: 76.0696032
• Monoisotopic Mass: 76.032443
• SMILES: FC1COC1
• Canonical SMILES: FC1COC1
• InChI: InChI=1S/C3H5FO/c4-3-1-5-2-3/h3H,1-2H2
• InChIKey: ZYHRCFBHAKRMMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluorooxetane
• IUPAC Traditional name: 3-fluorooxetane
• Synonyms: 3-Fluorooxetane

Database IDs

• CAS Number: 26272-86-6
• MDL Number: MFCD17170023
• PubChem SID: 162029622
• PubChem CID: 14364402

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.21378133
• LogD (pH = 7.4): 0.21378133
• Log P: 0.21378133
• Molar Refractivity: 15.3139 cm^3
• Polarizability: 6.066296 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%