2-Aminomethyl-4-phenyl-5-(trifluoromethyl)thiophene

• Catalog: OFC874832094
• CAS: 874832-09-4
• Category: Fluorinated Thiophenes
• Synonyms: [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methanamine
• MDL Number: MFCD06808648

• IUPAC Name: [4-phenyl-5-(trifluoromethyl)thiophen-2-yl]methanamine
• InChI: InChI=1S/C12H10F3NS/c13-12(14,15)11-10(6-9(7-16)17-11)8-4-2-1-3-5-8/h1-6H,7,16H2
• InChI Key: ZOHCUDFCDXHXKZ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)C2=C(SC(=C2)CN)C(F)(F)F

• Molecular Formula: C12H10F3NS
• Molecular Weight: 257.27

• XLogP3-AA: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 257.04860498 g/mol
• Monoisotopic Mass: 257.04860498 g/mol
• Topological Polar Surface Area: 54.3Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 251