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

C8H14F3N2+ — CID 11075243

IUPAC[(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(\C=[N+](C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N2/c1-12(2)5-7(6-13(3)4)8(9,10)11/h5-6H,1-4H3/q+1
InChIKeyMUKQAPOSFYDZBX-UHFFFAOYSA-N
MW195.21 g/mol
LogP1.34
Rot. Bonds2

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

[(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium (PubChem CID 11075243) has the molecular formula C8H14F3N2+ and a molecular weight of 195.21 g/mol. Its IUPAC name is [(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium
PubChem CID11075243
Molecular FormulaC8H14F3N2+
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name[(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(\C=[N+](C)C)C(F)(F)F
InChIInChI=1S/C8H14F3N2/c1-12(2)5-7(6-13(3)4)8(9,10)11/h5-6H,1-4H3/q+1
InChIKeyMUKQAPOSFYDZBX-UHFFFAOYSA-N
XLogP1.34
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium (CID 11075243) is [(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium is CN(C)/C=C(\C=[N+](C)C)C(F)(F)F.
What is the InChIKey of [(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium?
The InChIKey is MUKQAPOSFYDZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N2/c1-12(2)5-7(6-13(3)4)8(9,10)11/h5-6H,1-4H3/q+1.
What are the key properties of [(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium?
[(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium has a molecular weight of 195.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 11075243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).