[(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium

C13H17F2N2+ — CID 84713971

IUPAC[(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(/C=[N+](C)C)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N2/c1-16(2)8-10(9-17(3)4)12-6-5-11(14)7-13(12)15/h5-9H,1-4H3/q+1
InChIKeyLCDHUAWVVGTUJF-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.21
Rot. Bonds3

About [(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium

[(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (PubChem CID 84713971) has the molecular formula C13H17F2N2+ and a molecular weight of 239.29 g/mol. Its IUPAC name is [(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
PubChem CID84713971
Molecular FormulaC13H17F2N2+
Molecular Weight239.29 g/mol
Exact Mass239.14
IUPAC Name[(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium
SMILESCN(C)/C=C(/C=[N+](C)C)c1ccc(F)cc1F
InChIInChI=1S/C13H17F2N2/c1-16(2)8-10(9-17(3)4)12-6-5-11(14)7-13(12)15/h5-9H,1-4H3/q+1
InChIKeyLCDHUAWVVGTUJF-UHFFFAOYSA-N
XLogP2.21
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.21
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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Related Compounds

(E)-2-(4-chlorophenoxy)-1-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-en-1-one
CID 121305738
[(E)-3-(dimethylamino)-2-phenylprop-2-enylidene]-dimethylazanium perchlorate
CID 10859627
2,4-difluoro-1-prop-1-en-2-ylbenzene
CID 10877333
3-(2,4-difluorophenyl)-N-(2-hydroxy-2-methylpropyl)-N-methylbut-2-enamide
CID 111976989
1-(4-chlorobut-2-en-2-yl)-2,4-difluorobenzene
CID 121350292
(E)-5-(2,4-difluorophenyl)-3-methylidenehex-4-en-2-one
CID 166086953
[3-(dimethylamino)-2-(dimethylazaniumylidenemethyl)prop-2-enylidene]-dimethylazanium ditetrafluoroborate
CID 10981175
(2,4-difluorophenyl) 3-(dimethylamino)-2-methylprop-2-enoate
CID 174520339
N-(cyclopropylmethyl)-2,4-difluoro-N-methylbenzamide
CID 94158144
(Z)-2-(4-chloro-2,5-difluorophenyl)-3-(dimethylamino)prop-2-enal
CID 168949635
4-(2,4-difluorophenyl)-2,3-dimethyl-4-oxobutanoic acid
CID 79414908
2,4-difluoro-N-methyl-N-(piperidin-4-ylmethyl)benzamide
CID 79715450

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The IUPAC name of [(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium (CID 84713971) is [(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is CN(C)/C=C(/C=[N+](C)C)c1ccc(F)cc1F.
What is the InChIKey of [(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
The InChIKey is LCDHUAWVVGTUJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2N2/c1-16(2)8-10(9-17(3)4)12-6-5-11(14)7-13(12)15/h5-9H,1-4H3/q+1.
What are the key properties of [(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium?
[(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium has a molecular weight of 239.29 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(2,4-difluorophenyl)-3-(dimethylamino)prop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 84713971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).