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

• ChemBase ID: 97681
• Molecular Formular: C9H11ClFN
• Molecular Mass: 187.6417432
• Monoisotopic Mass: 187.05640526
• SMILES: N[C@H]1c2cccc(c2CC1)F.Cl
• Canonical SMILES: N[C@@H]1CCc2c1cccc2F.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/t9-;/m1./s1
• InChIKey: CBWNFZYQNOKVAI-SBSPUUFOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-4-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
• IUPAC Traditional name: (1R)-4-fluoro-2,3-dihydro-1H-inden-1-amine hydrochloride
• Synonyms: (1S)-2,3-Dihydro-4-fluoro-1H-inden-1-amine hydrochloride; (1S)-1-Amino-4-fluoroindane hydrochloride

Database IDs

• PubChem SID: 162104970
• PubChem CID: 53484711

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

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon