N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine

• ChemBase ID: 246848
• Molecular Formular: C11H13F3N2
• Molecular Mass: 230.2295296
• Monoisotopic Mass: 230.10308309
• SMILES: C(CNC1c2ncccc2CCC1)(F)(F)F
• Canonical SMILES: FC(CNC1CCCc2c1nccc2)(F)F
• InChI: InChI=1S/C11H13F3N2/c12-11(13,14)7-16-9-5-1-3-8-4-2-6-15-10(8)9/h2,4,6,9,16H,1,3,5,7H2
• InChIKey: CGGVGOVSZDYEAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• IUPAC Traditional name: N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine
• Synonyms: N-(2,2,2-trifluoroethyl)-5,6,7,8-tetrahydroquinolin-8-amine

Database IDs

• MDL Number: MFCD21790636
• PubChem SID: 164302758
• PubChem CID: 71683225

CALCULATED PROPERTIES

• Log P: 2.4914725
• Molar Refractivity: 54.3339 cm^3
• Polarizability: 20.459398 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4395163
• LogD (pH = 7.4): 2.4907765

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.779

Product Information

• Purity: 95%