4-Phenyl-5-(trifluoromethyl)thiophen-3-amine

• Catalog: OFC256427777-1
• CAS: 256427-77-7
• Category: Fluorinated Thiophenes
• Synonyms: 3-Amino-4-phenyl-5-(trifluoromethyl)thiophene
• Purity: 97%
• MDL Number: MFCD01934528

• IUPAC Name: 4-phenyl-5-(trifluoromethyl)thiophen-3-amine
• InChI: InChI=1S/C11H8F3NS/c12-11(13,14)10-9(8(15)6-16-10)7-4-2-1-3-5-7/h1-6H,15H2
• InChI Key: KBIPYEXWOYDDDL-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)C2=C(SC=C2N)C(F)(F)F

• Molecular Formula: C11H8F3NS
• Molecular Weight: 243.25

• XLogP3-AA: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 243.03295492 g/mol
• Monoisotopic Mass: 243.03295492 g/mol
• Topological Polar Surface Area: 54.3Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 238