(1S)-5-fluoro-2,3-dihydro-1H-inden-1-amine

• ChemBase ID: 811257
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: C1[C@@H](c2ccc(cc2C1)F)N
• Canonical SMILES: Fc1ccc2c(c1)CC[C@@H]2N
• InChI: InChI=1S/C9H10FN/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9H,1,4,11H2/t9-/m0/s1
• InChIKey: POTIEZMRLKEJOZ-VIFPVBQESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-5-fluoro-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: (1S)-5-fluoro-2,3-dihydro-1H-inden-1-amine
• Synonyms: (S)-5-FLUORO-2,3-DIHYDRO-1H-INDEN-1-AMINE

Database IDs

• CAS Number: 1114333-11-7

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

Product Information

• Purity: 98%