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

• ChemBase ID: 808587
• Molecular Formular: C9H10FN
• Molecular Mass: 151.1808032
• Monoisotopic Mass: 151.07972755
• SMILES: C1(CCc2cc(ccc12)F)N
• Canonical SMILES: Fc1ccc2c(c1)CCC2N
• InChI: InChI=1S/C9H10FN/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5,9H,1,4,11H2
• InChIKey: POTIEZMRLKEJOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2,3-dihydro-1H-inden-1-amine
• IUPAC Traditional name: 5-fluoro-2,3-dihydro-1H-inden-1-amine
• Synonyms: 1-AMINO-5-FLUOROINDANE

Database IDs

• CAS Number: 148960-33-2

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%