[(2E)-3-ethoxyprop-2-en-1-ylidene]dimethylazanium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 801329
• Molecular Formular: C7H14F6NOP
• Molecular Mass: 273.1563402
• Monoisotopic Mass: 273.07172002
• SMILES: [P-](F)(F)(F)(F)(F)F.C[N+](=C/C=C/OCC)C
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CCO/C=C/C=[N+](C)C
• InChI: InChI=1S/C7H14NO.F6P/c1-4-9-7-5-6-8(2)3;1-7(2,3,4,5)6/h5-7H,4H2,1-3H3;/q+1;-1/b7-5+
• InChIKey: QRLQQAUSYJCHJB-GZOLSCHFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2E)-3-ethoxyprop-2-en-1-ylidene]dimethylazanium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: [(2E)-3-ethoxyprop-2-en-1-ylidene]dimethylazanium hexafluorophosphate
• Synonyms: N-[(2E)-3-ETHOXYPROP-2-ENYLIDENE]-N-METHYLMETHANAMINIUM HEXAFLUOROPHOSPHATE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -3.0265749
• LogD (pH = 7.4): -3.0265749
• Log P: -3.0265749
• Molar Refractivity: 50.9089 cm^3
• Polarizability: 15.089913 Å^3
• Polar Surface Area: 12.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%