2-(3-fluoro-4-methoxyphenyl)oxirane

• ChemBase ID: 262210
• Molecular Formular: C9H9FO2
• Molecular Mass: 168.1649632
• Monoisotopic Mass: 168.05865775
• SMILES: O1C(C1)c1cc(c(cc1)OC)F
• Canonical SMILES: COc1ccc(cc1F)C1OC1
• InChI: InChI=1S/C9H9FO2/c1-11-8-3-2-6(4-7(8)10)9-5-12-9/h2-4,9H,5H2,1H3
• InChIKey: GFIMPLNCBXJOJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluoro-4-methoxyphenyl)oxirane
• IUPAC Traditional name: 2-(3-fluoro-4-methoxyphenyl)oxirane
• Synonyms: 2-(3-fluoro-4-methoxyphenyl)oxirane

Database IDs

• MDL Number: MFCD09937964
• PubChem SID: 164318120
• PubChem CID: 24699079

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7222954
• LogD (pH = 7.4): 1.7222954
• Log P: 1.7222954
• Molar Refractivity: 42.0059 cm^3
• Polarizability: 16.190403 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.288

Product Information

• Purity: 95%