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291756-82-6

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Basic Information
CAS No.: 291756-82-6
Name: 2-(Trifluoromethyl)-1,3-bis(dimethylamino)trimethinium hexafluorophosphate
Molecular Structure:
Molecular Structure of 291756-82-6 (2-(Trifluoromethyl)-1,3-bis(dimethylamino)trimethinium hexafluorophosphate)
Formula: C8H14F9N2P
Molecular Weight: 340.17
Synonyms: 2-(Trifluoromethyl)-1,3-dimethylamino trimethinium hexafluorophosphate;
Melting Point: 177-179 °C
PSA: 19.84000
LogP: 4.71950
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Specification

The 2-(Trifluoromethyl)-1,3-bis(dimethylamino)trimethinium hexafluorophosphate, with the CAS registry number 291756-82-6, is also known as 2-(Trifluoromethyl)-1,3-dimethylamino trimethinium hexafluorophosphate. This chemical's molecular formula is C8H14F9N2P and molecular weight is 340.17. What's more, its IUPAC name is [(E)-3-(Dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-Dimethylazanium hexafluorophosphate and systematic name is called N-[(2Z)-3-(Dimethylamino)-2-(trifluoromethyl)prop-2-en-1-ylidene]-N-methylmethanaminium hexafluorophosphate.

Physical properties about 2-(Trifluoromethyl)-1,3-bis(dimethylamino)trimethinium hexafluorophosphate are: (1) #H Bond Acceptors: 2; (2) #H Bond Donors: 0; (3) #Freely Rotating Bonds: 2; (4) Polar Surface Area: 6.25 Å2; (5) Melting Point: 177-179 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CN(C)C=C(C=[N+](C)C)C(F)(F)F.F[P-](F)(F)(F)(F)F
(2) 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
(3) InChIKey: GMWIFDFSXGELQO-UHFFFAOYSA-N