2-(2-fluorophenyl)oxirane

• ChemBase ID: 255257
• Molecular Formular: C8H7FO
• Molecular Mass: 138.1389832
• Monoisotopic Mass: 138.04809306
• SMILES: O1C(C1)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1C1CO1
• InChI: InChI=1S/C8H7FO/c9-7-4-2-1-3-6(7)8-5-10-8/h1-4,8H,5H2
• InChIKey: YZPBMJZGHIBDAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-fluorophenyl)oxirane
• IUPAC Traditional name: 2-(2-fluorophenyl)oxirane
• Synonyms: 2-(2-fluorophenyl)oxirane

Database IDs

• MDL Number: MFCD09728266
• PubChem SID: 164311167
• PubChem CID: 14579254

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8799666
• LogD (pH = 7.4): 1.8799666
• Log P: 1.8799666
• Molar Refractivity: 35.5427 cm^3
• Polarizability: 13.641502 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.429

Product Information

• Purity: 95%