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

• ChemBase ID: 234382
• Molecular Formular: C10H11FO2
• Molecular Mass: 182.1915432
• Monoisotopic Mass: 182.07430781
• SMILES: O1C(C1)COCc1c(F)cccc1
• Canonical SMILES: Fc1ccccc1COCC1CO1
• InChI: InChI=1S/C10H11FO2/c11-10-4-2-1-3-8(10)5-12-6-9-7-13-9/h1-4,9H,5-7H2
• InChIKey: ZAFPBCXHHHJTOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD06660721
• PubChem SID: 164290292
• PubChem CID: 3845738

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.8329911
• LogD (pH = 7.4): 1.8329911
• Log P: 1.8329911
• Molar Refractivity: 46.5862 cm^3
• Polarizability: 18.034277 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.784

Product Information

• Purity: 95%