2-(4-fluorophenyl)-3-methyloxirane

• ChemBase ID: 266749
• Molecular Formular: C9H9FO
• Molecular Mass: 152.1655632
• Monoisotopic Mass: 152.06374313
• SMILES: O1C(C1C)c1ccc(cc1)F
• Canonical SMILES: CC1OC1c1ccc(cc1)F
• InChI: InChI=1S/C9H9FO/c1-6-9(11-6)7-2-4-8(10)5-3-7/h2-6,9H,1H3
• InChIKey: CAZZJCNYSROITF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-fluorophenyl)-3-methyloxirane
• IUPAC Traditional name: 2-(4-fluorophenyl)-3-methyloxirane
• Synonyms: 2-(4-fluorophenyl)-3-methyloxirane

Database IDs

• MDL Number: MFCD09738740
• PubChem SID: 164322659
• PubChem CID: 16791945

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.2965417
• LogD (pH = 7.4): 2.2965417
• Log P: 2.2965417
• Molar Refractivity: 39.9615 cm^3
• Polarizability: 15.47399 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.948

Product Information

• Purity: 95%