1-(2,2-dimethoxyethyl)-2-fluorobenzene

• ChemBase ID: 271975
• Molecular Formular: C10H13FO2
• Molecular Mass: 184.2074232
• Monoisotopic Mass: 184.08995788
• SMILES: c1(CC(OC)OC)c(F)cccc1
• Canonical SMILES: COC(Cc1ccccc1F)OC
• InChI: InChI=1S/C10H13FO2/c1-12-10(13-2)7-8-5-3-4-6-9(8)11/h3-6,10H,7H2,1-2H3
• InChIKey: KOAFAIKWRXPLJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2,2-dimethoxyethyl)-2-fluorobenzene
• IUPAC Traditional name: 1-(2,2-dimethoxyethyl)-2-fluorobenzene
• Synonyms: 1-(2,2-dimethoxyethyl)-2-fluorobenzene

Database IDs

• MDL Number: MFCD18380610
• PubChem SID: 164327885
• PubChem CID: 50989163

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3305867
• LogD (pH = 7.4): 2.3305867
• Log P: 2.3305867
• Molar Refractivity: 48.488 cm^3
• Polarizability: 18.678411 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.716

Product Information

• Purity: 95%