[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium

C9H18FN2+ — CID 177404456

IUPAC[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium
SMILESCCN(/C=C(\F)C=[N+](C)C)CC
InChIInChI=1S/C9H18FN2/c1-5-12(6-2)8-9(10)7-11(3)4/h7-8H,5-6H2,1-4H3/q+1
InChIKeyBCHLVADELMNYGE-UHFFFAOYSA-N
MW173.25 g/mol
LogP1.48
Rot. Bonds4

About [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium

[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium (PubChem CID 177404456) has the molecular formula C9H18FN2+ and a molecular weight of 173.25 g/mol. Its IUPAC name is [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium.

Molecular Properties

Compound Name[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium
PubChem CID177404456
Molecular FormulaC9H18FN2+
Molecular Weight173.25 g/mol
Exact Mass173.14
IUPAC Name[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium
SMILESCCN(/C=C(\F)C=[N+](C)C)CC
InChIInChI=1S/C9H18FN2/c1-5-12(6-2)8-9(10)7-11(3)4/h7-8H,5-6H2,1-4H3/q+1
InChIKeyBCHLVADELMNYGE-UHFFFAOYSA-N
XLogP1.48
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.25
LogP ≤ 51.48
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-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium?
The IUPAC name of [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium (CID 177404456) is [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium.
What is the SMILES notation for [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium?
The canonical SMILES for [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium is CCN(/C=C(\F)C=[N+](C)C)CC.
What is the InChIKey of [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium?
The InChIKey is BCHLVADELMNYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN2/c1-5-12(6-2)8-9(10)7-11(3)4/h7-8H,5-6H2,1-4H3/q+1.
What are the key properties of [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium?
[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium has a molecular weight of 173.25 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-dimethylazanium is sourced from PubChem (CID 177404456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).