(1R)-6-fluoro-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 816232
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: N[C@@H]1CCc2ccc(cc12)F
• Canonical SMILES: Fc1ccc2c(c1)[C@H](N)CC2
• InChI: InChI=1S/C9H10FN/c10-7-3-1-6-2-4-9(11)8(6)5-7/h1,3,5,9H,2,4,11H2/t9-/m1/s1
• InChIKey: KZXWOWJBKSZXAL-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-6-fluoro-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: (1R)-6-fluoro-2,3-dihydro-1H-inden-1-amine
• Synonyms: (R)-6-FLUORO-INDAN-1-YLAMINE

Database IDs

• CAS Number: 790208-54-7

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

Product Information

• Purity: 98%