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

• ChemBase ID: 262360
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: c12c(ccc(c1)F)C(CC2)N.Cl
• Canonical SMILES: Fc1ccc2c(c1)CCC2N.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-7-2-3-8-6(5-7)1-4-9(8)11;/h2-3,5,9H,1,4,11H2;1H
• InChIKey: ALDKGIXHFMGJRE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: 5-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
• Synonyms: 5-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride

Database IDs

• MDL Number: MFCD12913144
• PubChem SID: 164318270
• PubChem CID: 19365907

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2176975
• LogD (pH = 7.4): -0.43089366
• Log P: 1.7859404
• Molar Refractivity: 42.3286 cm^3
• Polarizability: 16.216873 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 268 - 270°C
• Hydrophobicity(logP): 1.651

Product Information

• Purity: 95%