2-{[bis(4-fluorophenyl)methoxy]methyl}oxirane

• ChemBase ID: 234396
• Molecular Formular: C16H14F2O2
• Molecular Mass: 276.2779664
• Monoisotopic Mass: 276.09618613
• SMILES: O1C(C1)COC(c1ccc(cc1)F)c1ccc(cc1)F
• Canonical SMILES: Fc1ccc(cc1)C(c1ccc(cc1)F)OCC1OC1
• InChI: InChI=1S/C16H14F2O2/c17-13-5-1-11(2-6-13)16(20-10-15-9-19-15)12-3-7-14(18)8-4-12/h1-8,15-16H,9-10H2
• InChIKey: PMNKNFRBIDZMGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[bis(4-fluorophenyl)methoxy]methyl}oxirane
• IUPAC Traditional name: 2-{[bis(4-fluorophenyl)methoxy]methyl}oxirane
• Synonyms: 2-{[bis(4-fluorophenyl)methoxy]methyl}oxirane

Database IDs

• MDL Number: MFCD06357342
• PubChem SID: 164290306
• PubChem CID: 3752343

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.7599332
• LogD (pH = 7.4): 3.7599332
• Log P: 3.7599332
• Molar Refractivity: 71.0854 cm^3
• Polarizability: 27.28275 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): 3.275

Product Information

• Purity: 95%