4,4,4-trifluorobutanimidamide hydrochloride

• ChemBase ID: 247417
• Molecular Formular: C4H8ClF3N2
• Molecular Mass: 176.5679296
• Monoisotopic Mass: 176.03281061
• SMILES: C(F)(F)(F)CCC(=N)N.Cl
• Canonical SMILES: NC(=N)CCC(F)(F)F.Cl
• InChI: InChI=1S/C4H7F3N2.ClH/c5-4(6,7)2-1-3(8)9;/h1-2H2,(H3,8,9);1H
• InChIKey: RZDZYIZVZIWNEC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,4,4-trifluorobutanimidamide hydrochloride
• IUPAC Traditional name: 4,4,4-trifluorobutanimidamide hydrochloride
• Synonyms: 4,4,4-trifluorobutanimidamide hydrochloride

Database IDs

• PubChem SID: 164303327
• PubChem CID: 71758218

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.0406456
• LogD (pH = 7.4): -2.0400677
• Log P: 0.3748059
• Molar Refractivity: 37.0712 cm^3
• Polarizability: 9.5937805 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 95 - 97°C
• Hydrophobicity(logP): -0.452

Product Information

• Purity: 95%