5-(trifluoromethyl)thiophene-2-carboximidamide

• ChemBase ID: 801561
• Molecular Formular: C6H5F3N2S
• Molecular Mass: 194.1775096
• Monoisotopic Mass: 194.01255383
• SMILES: s1c(ccc1C(F)(F)F)C(=N)N
• Canonical SMILES: NC(=N)c1ccc(s1)C(F)(F)F
• InChI: InChI=1S/C6H5F3N2S/c7-6(8,9)4-2-1-3(12-4)5(10)11/h1-2H,(H3,10,11)
• InChIKey: XKVMMOZZCWGHSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(trifluoromethyl)thiophene-2-carboximidamide
• IUPAC Traditional name: 5-(trifluoromethyl)thiophene-2-carboximidamide
• Synonyms: 5-(TRIFLUOROMETHYL)THIOPHENE-2-CARBOXIMIDAMIDE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.47959033
• LogD (pH = 7.4): 0.77903086
• Log P: 1.8168836
• Molar Refractivity: 50.3782 cm^3
• Polarizability: 14.123829 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%