[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide

C11H22FIN2 — CID 11782397

IUPAC[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide
SMILESCCN(/C=C(\F)C=[N+](CC)CC)CC.[I-]
InChIInChI=1S/C11H22FN2.HI/c1-5-13(6-2)9-11(12)10-14(7-3)8-4;/h9-10H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyWOFZXUZAZBLNIO-UHFFFAOYSA-M
MW328.21 g/mol
LogP-0.73
Rot. Bonds6

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

[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide (PubChem CID 11782397) has the molecular formula C11H22FIN2 and a molecular weight of 328.21 g/mol. Its IUPAC name is [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide.

Molecular Properties

Compound Name[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide
PubChem CID11782397
Molecular FormulaC11H22FIN2
Molecular Weight328.21 g/mol
Exact Mass328.08
IUPAC Name[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide
SMILESCCN(/C=C(\F)C=[N+](CC)CC)CC.[I-]
InChIInChI=1S/C11H22FN2.HI/c1-5-13(6-2)9-11(12)10-14(7-3)8-4;/h9-10H,5-8H2,1-4H3;1H/q+1;/p-1
InChIKeyWOFZXUZAZBLNIO-UHFFFAOYSA-M
XLogP-0.73
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 5-0.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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]-diethylazanium iodide?
The IUPAC name of [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide (CID 11782397) is [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide.
What is the SMILES notation for [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide?
The canonical SMILES for [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide is CCN(/C=C(\F)C=[N+](CC)CC)CC.[I-].
What is the InChIKey of [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide?
The InChIKey is WOFZXUZAZBLNIO-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H22FN2.HI/c1-5-13(6-2)9-11(12)10-14(7-3)8-4;/h9-10H,5-8H2,1-4H3;1H/q+1;/p-1.
What are the key properties of [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide?
[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium iodide has a molecular weight of 328.21 g/mol, XLogP of -0.73, 6 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]-diethylazanium iodide is sourced from PubChem (CID 11782397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).