[5-(2-fluorophenyl)furan-2-yl]methanamine

• ChemBase ID: 266474
• Molecular Formular: C11H10FNO
• Molecular Mass: 191.2016032
• Monoisotopic Mass: 191.07464217
• SMILES: c1(oc(cc1)CN)c1c(F)cccc1
• Canonical SMILES: NCc1ccc(o1)c1ccccc1F
• InChI: InChI=1S/C11H10FNO/c12-10-4-2-1-3-9(10)11-6-5-8(7-13)14-11/h1-6H,7,13H2
• InChIKey: UEVPMXJKUUJSHB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(2-fluorophenyl)furan-2-yl]methanamine
• IUPAC Traditional name: [5-(2-fluorophenyl)furan-2-yl]methanamine
• Synonyms: [5-(2-fluorophenyl)furan-2-yl]methanamine

Database IDs

• MDL Number: MFCD08443525
• PubChem SID: 164322384
• PubChem CID: 16770227

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5605849
• LogD (pH = 7.4): 1.1310763
• Log P: 1.8691893
• Molar Refractivity: 52.1524 cm^3
• Polarizability: 21.163385 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.511

Product Information

• Purity: 95%