1-(1-benzofuran-2-yl)-2-fluoroethan-1-amine

• ChemBase ID: 280117
• Molecular Formular: C10H10FNO
• Molecular Mass: 179.1909032
• Monoisotopic Mass: 179.07464217
• SMILES: c1(oc2c(c1)cccc2)C(N)CF
• Canonical SMILES: FCC(c1cc2c(o1)cccc2)N
• InChI: InChI=1S/C10H10FNO/c11-6-8(12)10-5-7-3-1-2-4-9(7)13-10/h1-5,8H,6,12H2
• InChIKey: TTWWTADWFFSISA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-benzofuran-2-yl)-2-fluoroethan-1-amine
• IUPAC Traditional name: 1-(1-benzofuran-2-yl)-2-fluoroethanamine
• Synonyms: 1-(1-benzofuran-2-yl)-2-fluoroethanamine

Database IDs

• MDL Number: MFCD09040713
• PubChem SID: 180665648
• PubChem CID: 16228759

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.15762447
• LogD (pH = 7.4): 1.2621377
• Log P: 1.4388956
• Molar Refractivity: 47.5204 cm^3
• Polarizability: 19.585264 Å^3
• Polar Surface Area: 39.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.686

Product Information

• Purity: 95%