1-(benzyloxy)-4-(difluoromethyl)benzene

• ChemBase ID: 54696
• Molecular Formular: C14H12F2O
• Molecular Mass: 234.2412864
• Monoisotopic Mass: 234.08562144
• SMILES: c1(ccc(cc1)C(F)F)OCc1ccccc1
• Canonical SMILES: FC(c1ccc(cc1)OCc1ccccc1)F
• InChI: InChI=1S/C14H12F2O/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h1-9,14H,10H2
• InChIKey: LFDJCWRYXCAVSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(benzyloxy)-4-(difluoromethyl)benzene
• IUPAC Traditional name: 1-(benzyloxy)-4-(difluoromethyl)benzene
• Synonyms: Benzyl 4-(difluoromethyl)phenyl ether; 4-(Benzyloxy)benzal fluoride; 4-(Benzyloxy)-alpha,alpha-difluorotoluene; 1-(Benzyloxy)-4-(difluoromethyl)benzene; 1-Benzyloxy-4-(difluoromethyl)benzene

Database IDs

• MDL Number: MFCD18803519
• PubChem SID: 162059459
• PubChem CID: 54772391

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9291356
• LogD (pH = 7.4): 3.9291356
• Log P: 3.9291356
• Molar Refractivity: 62.2178 cm^3
• Polarizability: 23.652363 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 74-76°C

Safety Information

• Storage Warning: Harmful/Irritant; IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%