4-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride

• ChemBase ID: 262473
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: c12c(C(CC1)N)cccc2F.Cl
• Canonical SMILES: NC1CCc2c1cccc2F.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-8-3-1-2-7-6(8)4-5-9(7)11;/h1-3,9H,4-5,11H2;1H
• InChIKey: CBWNFZYQNOKVAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: 4-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
• Synonyms: 4-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride

Database IDs

• MDL Number: MFCD08544171
• PubChem SID: 164318383
• PubChem CID: 45792083

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.211204
• LogD (pH = 7.4): -0.35414842
• Log P: 1.7859404
• Molar Refractivity: 42.3286 cm^3
• Polarizability: 16.218231 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 286 - 288°C
• Hydrophobicity(logP): 1.651

Product Information

• Purity: 95%