2-(3,4-difluorophenyl)oxirane

• ChemBase ID: 259497
• Molecular Formular: C8H6F2O
• Molecular Mass: 156.1294464
• Monoisotopic Mass: 156.03867125
• SMILES: O1C(C1)c1cc(c(cc1)F)F
• Canonical SMILES: Fc1ccc(cc1F)C1CO1
• InChI: InChI=1S/C8H6F2O/c9-6-2-1-5(3-7(6)10)8-4-11-8/h1-3,8H,4H2
• InChIKey: UNJRFWWCCAHSRB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-difluorophenyl)oxirane
• IUPAC Traditional name: 2-(3,4-difluorophenyl)oxirane
• Synonyms: 2-(3,4-difluorophenyl)oxirane

Database IDs

• MDL Number: MFCD09728790
• PubChem SID: 164315407
• PubChem CID: 14372923

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.0226686
• LogD (pH = 7.4): 2.0226686
• Log P: 2.0226686
• Molar Refractivity: 35.7591 cm^3
• Polarizability: 13.423189 Å^3
• Polar Surface Area: 12.53 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.502

Product Information

• Purity: 95%