2,2-difluoroethanimidamide

• ChemBase ID: 98094
• Molecular Formular: C2H4F2N2
• Molecular Mass: 94.0633664
• Monoisotopic Mass: 94.03425458
• SMILES: N=C(N)C(F)F
• Canonical SMILES: FC(C(=N)N)F
• InChI: InChI=1S/C2H4F2N2/c3-1(4)2(5)6/h1H,(H3,5,6)
• InChIKey: RBTHHWTYEDYOBS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-difluoroethanimidamide
• IUPAC Traditional name: 2,2-difluoroethanimidamide
• Synonyms: 2,2-Difluoroethanimidamide; Difluoroacetamidine

Database IDs

• PubChem SID: 162105051
• PubChem CID: 26597148

CALCULATED PROPERTIES

• Acid pKa: 16.832228
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.5608567
• LogD (pH = 7.4): -0.5459792
• Log P: -0.5457862
• Molar Refractivity: 27.1988 cm^3
• Polarizability: 6.1025524 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Moisture Sensitive/Keep Cold/Store under Argon