1-[2-fluoro-6-(morpholin-4-yl)phenyl]ethan-1-one

• ChemBase ID: 278510
• Molecular Formular: C12H14FNO2
• Molecular Mass: 223.2434632
• Monoisotopic Mass: 223.10085691
• SMILES: c1(c(N2CCOCC2)cccc1F)C(=O)C
• Canonical SMILES: CC(=O)c1c(F)cccc1N1CCOCC1
• InChI: InChI=1S/C12H14FNO2/c1-9(15)12-10(13)3-2-4-11(12)14-5-7-16-8-6-14/h2-4H,5-8H2,1H3
• InChIKey: LXTNFUBDBUQHFX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[2-fluoro-6-(morpholin-4-yl)phenyl]ethan-1-one
• IUPAC Traditional name: 1-[2-fluoro-6-(morpholin-4-yl)phenyl]ethanone
• Synonyms: 1-[2-fluoro-6-(morpholin-4-yl)phenyl]ethan-1-one

Database IDs

• MDL Number: MFCD11136757
• PubChem SID: 164334420
• PubChem CID: 28414168

CALCULATED PROPERTIES

• Log P: 1.5631387
• Molar Refractivity: 60.1803 cm^3
• Polarizability: 22.231134 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 15.40976
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5631387
• LogD (pH = 7.4): 1.5631387

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.124

Product Information

• Purity: 95%