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

• ChemBase ID: 271295
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: c12c(CCC1N)ccc(c2)F.Cl
• Canonical SMILES: Fc1ccc2c(c1)C(N)CC2.Cl
• InChI: InChI=1S/C9H10FN.ClH/c10-7-3-1-6-2-4-9(11)8(6)5-7;/h1,3,5,9H,2,4,11H2;1H
• InChIKey: INNMZPPLAARVHQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: 6-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
• Synonyms: 6-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride

Database IDs

• MDL Number: MFCD08544167
• PubChem SID: 164327205
• PubChem CID: 50988685

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2098904
• LogD (pH = 7.4): -0.34004012
• Log P: 1.7859404
• Molar Refractivity: 42.3286 cm^3
• Polarizability: 16.216478 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 254 - 256°C
• Hydrophobicity(logP): 1.651

Product Information

• Purity: 95%