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

• ChemBase ID: 808586
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: N[C@H]1CCc2c(cccc12)F
• Canonical SMILES: N[C@H]1CCc2c1cccc2F
• InChI: InChI=1S/C9H10FN/c10-8-3-1-2-7-6(8)4-5-9(7)11/h1-3,9H,4-5,11H2/t9-/m0/s1
• InChIKey: SIIMRBDZNUKOAC-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-4-fluoro-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: (1S)-4-fluoro-2,3-dihydro-1H-inden-1-amine
• Synonyms: (S)-4-FLUORO-INDAN-1-YLAMINE

Database IDs

• CAS Number: 946053-90-3

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

Product Information

• Purity: 98%