[5-(4-fluorophenyl)furan-2-yl]methanamine

• ChemBase ID: 254326
• Molecular Formular: C11H10FNO
• Molecular Mass: 191.2016032
• Monoisotopic Mass: 191.07464217
• SMILES: c1(oc(cc1)CN)c1ccc(cc1)F
• Canonical SMILES: NCc1ccc(o1)c1ccc(cc1)F
• InChI: InChI=1S/C11H10FNO/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-6H,7,13H2
• InChIKey: RPFSMJZOIYNWBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(4-fluorophenyl)furan-2-yl]methanamine
• IUPAC Traditional name: [5-(4-fluorophenyl)furan-2-yl]methanamine
• Synonyms: 1-[5-(4-fluorophenyl)-2-furyl]methanamine; [5-(4-fluorophenyl)-2-furyl]methylamine

Database IDs

• CAS Number: 923230-19-7
• MDL Number: MFCD08444637
• PubChem SID: 164310236
• PubChem CID: 16228102

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5780073
• LogD (pH = 7.4): 1.1119184
• Log P: 1.8691893
• Molar Refractivity: 52.1524 cm^3
• Polarizability: 21.155909 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%