2,2,2-trifluoro-N-(4-hydrazinylphenyl)acetamide hydrochloride

• ChemBase ID: 97813
• Molecular Formular: C8H9ClF3N3O
• Molecular Mass: 255.6247696
• Monoisotopic Mass: 255.03862426
• SMILES: N(c1ccc(cc1)NN)C(=O)C(F)(F)F.Cl
• Canonical SMILES: NNc1ccc(cc1)NC(=O)C(F)(F)F.Cl
• InChI: InChI=1S/C8H8F3N3O.ClH/c9-8(10,11)7(15)13-5-1-3-6(14-12)4-2-5;/h1-4,14H,12H2,(H,13,15);1H
• InChIKey: YUJNNGXWRHANHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,2-trifluoro-N-(4-hydrazinylphenyl)acetamide hydrochloride
• IUPAC Traditional name: 2,2,2-trifluoro-N-(4-hydrazinylphenyl)acetamide hydrochloride
• Synonyms: N-(4-Hydrazinophenyl)-2,2,2-trifluoroacetamide hydrochloride; 4-[(Trifluoroacetyl)amino]phenylhydrazine hydrochloride; 4-Hydrazino-N-(trifluoroacetyl)aniline hydrochloride

Database IDs

• PubChem SID: 162104986
• PubChem CID: 71300086

CALCULATED PROPERTIES

• Acid pKa: 11.3765
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 1.5260564
• LogD (pH = 7.4): 1.7315176
• Log P: 1.7349274
• Molar Refractivity: 51.6379 cm^3
• Polarizability: 17.256992 Å^3
• Polar Surface Area: 67.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Store under Argon