5-(Thien-2-yl)-3-(trifluoromethyl)-1h-pyrazole

• Catalog: OFC128228966
• CAS: 128228-96-6
• Category: Fluorinated Thiophenes
• Synonyms: 5-(Thiophen-2-yl)-3-(trifluoromethyl)-1H-pyrazole
• MDL Number: MFCD00459838

• IUPAC Name: 3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazole
• InChI: InChI=1S/C8H5F3N2S/c9-8(10,11)7-4-5(12-13-7)6-2-1-3-14-6/h1-4H,(H,12,13)
• InChI Key: RAQSZNBGFKBCNQ-UHFFFAOYSA-N
• Isomeric SMILES: C1=CSC(=C1)C2=NNC(=C2)C(F)(F)F

• Molecular Formula: C8H5F3N2S
• Molecular Weight: 218.20
• Melting Point: 120-122 °C

• XLogP3-AA: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 218.01255383 g/mol
• Monoisotopic Mass: 218.01255383 g/mol
• Topological Polar Surface Area: 56.9Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 209