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

C8H14ClF3N2 — CID 11042574

IUPAC[(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride
SMILESCN(C)/C=C(/C=[N+](C)C)C(F)(F)F.[Cl-]
InChIInChI=1S/C8H14F3N2.ClH/c1-12(2)5-7(6-13(3)4)8(9,10)11;/h5-6H,1-4H3;1H/q+1;/p-1
InChIKeyMXODLBAPPIDDNJ-UHFFFAOYSA-M
MW230.66 g/mol
LogP-1.66
Rot. Bonds2

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

[(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride (PubChem CID 11042574) has the molecular formula C8H14ClF3N2 and a molecular weight of 230.66 g/mol. Its IUPAC name is [(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride.

Molecular Properties

Compound Name[(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride
PubChem CID11042574
Molecular FormulaC8H14ClF3N2
Molecular Weight230.66 g/mol
Exact Mass230.08
IUPAC Name[(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride
SMILESCN(C)/C=C(/C=[N+](C)C)C(F)(F)F.[Cl-]
InChIInChI=1S/C8H14F3N2.ClH/c1-12(2)5-7(6-13(3)4)8(9,10)11;/h5-6H,1-4H3;1H/q+1;/p-1
InChIKeyMXODLBAPPIDDNJ-UHFFFAOYSA-M
XLogP-1.66
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.66
LogP ≤ 5-1.66
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 [(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride?
The IUPAC name of [(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride (CID 11042574) is [(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride.
What is the SMILES notation for [(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride?
The canonical SMILES for [(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride is CN(C)/C=C(/C=[N+](C)C)C(F)(F)F.[Cl-].
What is the InChIKey of [(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride?
The InChIKey is MXODLBAPPIDDNJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H14F3N2.ClH/c1-12(2)5-7(6-13(3)4)8(9,10)11;/h5-6H,1-4H3;1H/q+1;/p-1.
What are the key properties of [(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride?
[(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride has a molecular weight of 230.66 g/mol, XLogP of -1.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(dimethylamino)-2-(trifluoromethyl)prop-2-enylidene]-dimethylazanium chloride is sourced from PubChem (CID 11042574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).