4-[(2-Aminoethyl)thio]-6-(trifluoromethyl)quinoline

• Catalog: OFC1065076154
• CAS: 1065076-15-4
• Category: Fluorinated Quinolines
• Synonyms: 2-{[6-Ttrifluoromethyl)quinolin-4-yl]thio}ethylamine
• MDL Number: MFCD11101422

• IUPAC Name: 2-[6-(trifluoromethyl)quinolin-4-yl]sulfanylethanamine
• InChI: InChI=1S/C12H11F3N2S/c13-12(14,15)8-1-2-10-9(7-8)11(3-5-17-10)18-6-4-16/h1-3,5,7H,4,6,16H2
• InChI Key: PRCAYOHEFMOOCL-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC2=NC=CC(=C2C=C1C(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