N1-[(diphenylphosphoryl)(thien-2-yl)methyl]-3-(trifluoromethyl)aniline

• Catalog: OFC260437238
• CAS: 260437-23-8
• Category: Fluorinated Thiophenes
• Synonyms: N-[diphenylphosphoryl(thiophen-2-yl)methyl]-3-(trifluoromethyl)aniline
• MDL Number: MFCD00118197

• IUPAC Name: N-[diphenylphosphoryl(thiophen-2-yl)methyl]-3-(trifluoromethyl)aniline
• InChI: InChI=1S/C24H19F3NOPS/c25-24(26,27)18-9-7-10-19(17-18)28-23(22-15-8-16-31-22)30(29,20-11-3-1-4-12-20)21-13-5-2-6-14-21/h1-17,23,28H
• InChI Key: GLZCFILEGRNGAY-UHFFFAOYSA-N
• Isomeric SMILES: C1=CC=C(C=C1)P(=O)(C2=CC=CC=C2)C(C3=CC=CS3)NC4=CC=CC(=C4)C(F)(F)F

• Molecular Formula: C24H19F3NOPS
• Molecular Weight: 457.45

• XLogP3-AA: 6.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 457.08770689 g/mol
• Monoisotopic Mass: 457.08770689 g/mol
• Topological Polar Surface Area: 57.3Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 596