[(2Z)-2-(methoxymethylidene)butylidene]dimethylazanium; hexafluoro-λ5-phosphanuide

• ChemBase ID: 801411
• Molecular Formular: C8H16F6NOP
• Molecular Mass: 287.1829202
• Monoisotopic Mass: 287.08737009
• SMILES: [P-](F)(F)(F)(F)(F)F.C[N+](=C/C(=C\OC)/CC)C
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CO/C=C(\C=[N+](C)C)/CC
• InChI: InChI=1S/C8H16NO.F6P/c1-5-8(7-10-4)6-9(2)3;1-7(2,3,4,5)6/h6-7H,5H2,1-4H3;/q+1;-1/b8-7-
• InChIKey: SOLXMPUNEYTMRT-CFYXSCKTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2Z)-2-(methoxymethylidene)butylidene]dimethylazanium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: [(2Z)-2-(methoxymethylidene)butylidene]dimethylazanium hexafluorophosphate
• Synonyms: N-[(2Z)-2-ETHYL-3-METHOXYPROP-2-ENYLIDENE]-N-METHYLMETHANAMINIUM HEXAFLUOROPHOSPHATE

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.5432634
• LogD (pH = 7.4): -2.5432634
• Log P: -2.5432634
• Molar Refractivity: 55.1184 cm^3
• Polarizability: 16.934225 Å^3
• Polar Surface Area: 12.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%