2-[4-(difluoromethoxy)phenyl]oxirane

• ChemBase ID: 262136
• Molecular Formular: C9H8F2O2
• Molecular Mass: 186.1554264
• Monoisotopic Mass: 186.04923594
• SMILES: O1C(C1)c1ccc(OC(F)F)cc1
• Canonical SMILES: FC(Oc1ccc(cc1)C1OC1)F
• InChI: InChI=1S/C9H8F2O2/c10-9(11)13-7-3-1-6(2-4-7)8-5-12-8/h1-4,8-9H,5H2
• InChIKey: FJRUSEQSRVYISD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(difluoromethoxy)phenyl]oxirane
• IUPAC Traditional name: 2-[4-(difluoromethoxy)phenyl]oxirane
• Synonyms: 2-[4-(difluoromethoxy)phenyl]oxirane

Database IDs

• MDL Number: MFCD11185349
• PubChem SID: 164318046
• PubChem CID: 43145501

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.5063517
• LogD (pH = 7.4): 2.5063517
• Log P: 2.5063517
• Molar Refractivity: 41.7984 cm^3
• Polarizability: 16.050093 Å^3
• Polar Surface Area: 21.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.651

Product Information

• Purity: 95%