[(dimethylamino)(fluoro)methylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide

• ChemBase ID: 94989
• Molecular Formular: C5H12F7N2P
• Molecular Mass: 264.1247634
• Monoisotopic Mass: 264.06263256
• SMILES: N(C(=[N+](C)C)F)(C)C.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CN(C(=[N+](C)C)F)C
• InChI: InChI=1S/C5H12FN2.F6P/c1-7(2)5(6)8(3)4;1-7(2,3,4,5)6/h1-4H3;/q+1;-1
• InChIKey: ZAVXOOLKAGPJPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(dimethylamino)(fluoro)methylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide; [(dimethylamino)(fluoro)methylidene]dimethylazanium; hexafluoro-λ^5-phosphanuide
• IUPAC Traditional name: [(dimethylamino)(fluoro)methylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide; [(dimethylamino)(fluoro)methylidene]dimethylazanium hexafluorophosphate
• Synonyms: Fluoro-N,N,N',N'-tetramethylformamidinium hexafluorophosphate (TFFH); TFFH; Fluoro-N,N,N′,N′-tetramethylformamidinium hexafluorophosphate; 四甲基氟代脲六氟磷酸酯

Database IDs

• CAS Number: 164298-23-1
• MDL Number: MFCD02684443
• PubChem SID: 24871000; 162081640; 24874106
• PubChem CID: 2774761

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.9945273
• LogD (pH = 7.4): -2.9945273
• Log P: -2.9945273
• Molar Refractivity: 43.8007 cm^3
• Polarizability: 11.833114 Å^3
• Polar Surface Area: 6.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 104-109 °C(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.0% (19F-NMR); 97%
• Grade: puriss.
• Linear Formula: [FC[=N(CH3)2]N(CH3)2]PF6

DETAILS

Apollo Scientific Ltd - PC2706

Fluorinating Reagent

Sigma Aldrich - 520330

Packaging
1, 5 g in glass bottle
Application
Reagent for synthesis of: Cationic antimicrobial β-2,2-amino acid derivatives1 Philanthotoxin analogues for inhibition of the ionotropic glutamate receptor2 Small β-peptidomimetics for antimicrobials3 Amine prodrugs of selective neuronal nitric oxide synthase inhibitors4Reagent for: Selective cyclohexyl-derived imidazopyrazine insulin-like growth factor 1 receptor inhibitors5 Hydrazone ligation to assemble multifunctional viral nanoparticles6

Sigma Aldrich - 47440

Other Notes
Reagent for preparing Fmoc-amino acid fluorides free of racemization7,8
Application
Reagent for synthesis of: Cationic antimicrobial β-2,2-amino acid derivatives1 Philanthotoxin analogues for inhibition of the ionotropic glutamate receptor2 Small β-peptidomimetics for antimicrobials3 Amine prodrugs of selective neuronal nitric oxide synthase inhibitors4Reagent for: Selective cyclohexyl-derived imidazopyrazine insulin-like growth factor 1 receptor inhibitors5 Hydrazone ligation to assemble multifunctional viral nanoparticles6