5-fluoro-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 806391
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: C1(Cc2ccc(cc2C1)F)N
• Canonical SMILES: NC1Cc2c(C1)cc(cc2)F
• InChI: InChI=1S/C9H10FN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
• InChIKey: VAAFFDVGGMHGHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 2340/6/9

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.3862593
• LogD (pH = 7.4): -0.7872729
• Log P: 1.630033
• Molar Refractivity: 42.4826 cm^3
• Polarizability: 16.142368 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%