7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine hydrochloride

• ChemBase ID: 240221
• Molecular Formular: C9H11ClFNO
• Molecular Mass: 203.6411432
• Monoisotopic Mass: 203.05131988
• SMILES: O1c2c(C(C1C)N)cccc2F.Cl
• Canonical SMILES: CC1Oc2c(C1N)cccc2F.Cl
• InChI: InChI=1S/C9H10FNO.ClH/c1-5-8(11)6-3-2-4-7(10)9(6)12-5;/h2-5,8H,11H2,1H3;1H
• InChIKey: ZFUJPMYYIJQGFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine hydrochloride
• IUPAC Traditional name: 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine hydrochloride
• Synonyms: 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine hydrochloride

Database IDs

• MDL Number: MFCD22392091
• PubChem SID: 164296131
• PubChem CID: 71756497

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.392154
• LogD (pH = 7.4): 0.1347768
• Log P: 1.3888621
• Molar Refractivity: 43.331 cm^3
• Polarizability: 16.98907 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.652

Product Information

• Purity: 95%