[3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate

C8H14F9N2P — CID 71436733

IUPAC[3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)C=C(C=[N+](C)C)C(F)(F)F.F[P-](F)(F)(F)(F)F
InChIInChI=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
InChIKeyGMWIFDFSXGELQO-UHFFFAOYSA-N
MW340.17 g/mol
LogP4.72
Rot. Bonds2

About [3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate

[3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate (PubChem CID 71436733) has the molecular formula C8H14F9N2P and a molecular weight of 340.17 g/mol. Its IUPAC name is [3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate.

Molecular Properties

Compound Name[3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate
PubChem CID71436733
Molecular FormulaC8H14F9N2P
Molecular Weight340.17 g/mol
Exact Mass340.08
IUPAC Name[3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate
SMILESCN(C)C=C(C=[N+](C)C)C(F)(F)F.F[P-](F)(F)(F)(F)F
InChIInChI=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
InChIKeyGMWIFDFSXGELQO-UHFFFAOYSA-N
XLogP4.72
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.17
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
The IUPAC name of [3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate (CID 71436733) is [3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate.
What is the SMILES notation for [3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
The canonical SMILES for [3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate is CN(C)C=C(C=[N+](C)C)C(F)(F)F.F[P-](F)(F)(F)(F)F.
What is the InChIKey of [3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
The InChIKey is GMWIFDFSXGELQO-UHFFFAOYSA-N. The full InChI is 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.
What are the key properties of [3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate?
[3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate has a molecular weight of 340.17 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium hexafluorophosphate is sourced from PubChem (CID 71436733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).