4-[(2-Aminoethyl)thio]-8-(trifluoromethyl)quinoline

• Catalog: OFC1065076198
• CAS: 1065076-19-8
• Category: Fluorinated Quinolines
• Synonyms: 2-{[8-(Trifluoromethyl)quinolin-4-yl]thio}ethylamine
• MDL Number: MFCD11101425

• IUPAC Name: : 2-[8-(trifluoromethyl)quinolin-4-yl]sulfanylethanamine
• InChI: InChI=1S/C12H11F3N2S/c13-12(14,15)9-3-1-2-8-10(18-7-5-16)4-6-17-11(8)9/h1-4,6H,5,7,16H2
• InChI Key: QHLMVSIMKGPPLE-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=C(C=CN=C2C(=C1)C(F)(F)F)SCCN

• Molecular Formula: C12H11F3N2S
• Molecular Weight: 272.29

• XLogP3-AA: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 272.05950402 g/mol
• Monoisotopic Mass: 272.05950402 g/mol
• Topological Polar Surface Area: 64.2Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 273