[(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium

C11H21F2N2+ — CID 156677168

IUPAC[(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
SMILESCN(C)/C(=C\C(CCF)=[N+](C)C)CCF
InChIInChI=1S/C11H21F2N2/c1-14(2)10(5-7-12)9-11(6-8-13)15(3)4/h9H,5-8H2,1-4H3/q+1
InChIKeyLXJKWQRPDUMNJQ-UHFFFAOYSA-N
MW219.30 g/mol
LogP1.86
Rot. Bonds6

About [(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium

[(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium (PubChem CID 156677168) has the molecular formula C11H21F2N2+ and a molecular weight of 219.30 g/mol. Its IUPAC name is [(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
PubChem CID156677168
Molecular FormulaC11H21F2N2+
Molecular Weight219.30 g/mol
Exact Mass219.17
IUPAC Name[(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
SMILESCN(C)/C(=C\C(CCF)=[N+](C)C)CCF
InChIInChI=1S/C11H21F2N2/c1-14(2)10(5-7-12)9-11(6-8-13)15(3)4/h9H,5-8H2,1-4H3/q+1
InChIKeyLXJKWQRPDUMNJQ-UHFFFAOYSA-N
XLogP1.86
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 51.86
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

(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
(Z)-1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782166
5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560383
1,1,1,5,5,5-hexafluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560389
(Z)-1,5-difluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 88984410
ethyl-[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-methylazanium
CID 156677165
[(Z)-5-[ethyl(methyl)amino]-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium
CID 156677170
[(Z)-1,7-difluoro-5-[methyl(propyl)amino]hept-4-en-3-ylidene]-methyl-propylazanium
CID 156677182
(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560398
(Z)-N-diethylalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
CID 147679532
(Z)-N-dimethylalumanyl-N-methyl-5-methyliminohept-3-en-3-amine
CID 154587352

Frequently Asked Questions

What is the IUPAC name of [(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium?
The IUPAC name of [(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium (CID 156677168) is [(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium?
The canonical SMILES for [(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium is CN(C)/C(=C\C(CCF)=[N+](C)C)CCF.
What is the InChIKey of [(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium?
The InChIKey is LXJKWQRPDUMNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N2/c1-14(2)10(5-7-12)9-11(6-8-13)15(3)4/h9H,5-8H2,1-4H3/q+1.
What are the key properties of [(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium?
[(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium has a molecular weight of 219.30 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-5-(dimethylamino)-1,7-difluorohept-4-en-3-ylidene]-dimethylazanium is sourced from PubChem (CID 156677168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).