1-fluoro-4-(2-methoxyethoxy)benzene

• ChemBase ID: 248949
• Molecular Formular: C9H11FO2
• Molecular Mass: 170.1808432
• Monoisotopic Mass: 170.07430781
• SMILES: c1(F)ccc(cc1)OCCOC
• Canonical SMILES: COCCOc1ccc(cc1)F
• InChI: InChI=1S/C9H11FO2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5H,6-7H2,1H3
• InChIKey: RBTCKTFQFSZUQX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-fluoro-4-(2-methoxyethoxy)benzene
• IUPAC Traditional name: 1-fluoro-4-(2-methoxyethoxy)benzene
• Synonyms: 1-fluoro-4-(2-methoxyethoxy)benzene

Database IDs

• MDL Number: MFCD20390565
• PubChem SID: 164304859
• PubChem CID: 58742071

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.911301
• LogD (pH = 7.4): 1.911301
• Log P: 1.911301
• Molar Refractivity: 43.7811 cm^3
• Polarizability: 16.908073 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.234

Product Information

• Purity: 95%