[(2Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-en-1-ylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide

• ChemBase ID: 64799
• Molecular Formular: C8H14F9N2P
• Molecular Mass: 340.1695498
• Monoisotopic Mass: 340.07508907
• SMILES: C(=C(\C=[N+](C)C)/C(F)(F)F)/N(C)C.[P-](F)(F)(F)(F)(F)F
• Canonical SMILES: F[P-](F)(F)(F)(F)F.CN(/C=C(\C(F)(F)F)/C=[N+](C)C)C
• InChI: InChI=1S/C8H14F3N2.F6P/c1-12(2)5-7(6-13(3)4)8(9,10)11;1-7(2,3,4,5)6/h5-6H,1-4H3;/q+1;-1
• InChIKey: GMWIFDFSXGELQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-en-1-ylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide
• IUPAC Traditional name: [(2Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-en-1-ylidene]dimethylazanium; hexafluoro-$l^{5}-phosphanuide
• Synonyms: 2-(Trifluoromethyl)-1,3-bis(dimethylamino) trimethinium hexafluorophosphate

Database IDs

• CAS Number: 291756-82-6
• MDL Number: MFCD08461601
• PubChem SID: 162030538
• PubChem CID: 10545080

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.6009367
• LogD (pH = 7.4): -2.5583558
• Log P: -2.557785
• Molar Refractivity: 58.4255 cm^3
• Polarizability: 16.707848 Å^3
• Polar Surface Area: 6.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 97%