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

• ChemBase ID: 129994
• Molecular Formular: C10H10F3N
• Molecular Mass: 201.1883096
• Monoisotopic Mass: 201.07653399
• SMILES: c1c2CC(N)Cc2ccc1C(F)(F)F
• Canonical SMILES: NC1Cc2c(C1)cc(cc2)C(F)(F)F
• InChI: InChI=1S/C10H10F3N/c11-10(12,13)8-2-1-6-4-9(14)5-7(6)3-8/h1-3,9H,4-5,14H2
• InChIKey: UBDQCUBRYLGYCL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(trifluoromethyl)-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: trifluoromethylaminoindane
• Synonyms: Trifluoromethylaminoindane

Database IDs

• PubChem SID: 162224280
• PubChem CID: 10420351
• Wikipedia Title: Trifluoromethylaminoindane

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.65132934
• LogD (pH = 7.4): -0.056452896
• Log P: 2.3651795
• Molar Refractivity: 48.2399 cm^3
• Polarizability: 17.570023 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true