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

C11H22FN2+ — CID 11782398

IUPAC[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium
SMILESCCN(/C=C(\F)C=[N+](CC)CC)CC
InChIInChI=1S/C11H22FN2/c1-5-13(6-2)9-11(12)10-14(7-3)8-4/h9-10H,5-8H2,1-4H3/q+1
InChIKeySBBCHMMLNPEFNP-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.26
Rot. Bonds6

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

[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium (PubChem CID 11782398) has the molecular formula C11H22FN2+ and a molecular weight of 201.31 g/mol. Its IUPAC name is [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium.

Molecular Properties

Compound Name[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium
PubChem CID11782398
Molecular FormulaC11H22FN2+
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium
SMILESCCN(/C=C(\F)C=[N+](CC)CC)CC
InChIInChI=1S/C11H22FN2/c1-5-13(6-2)9-11(12)10-14(7-3)8-4/h9-10H,5-8H2,1-4H3/q+1
InChIKeySBBCHMMLNPEFNP-UHFFFAOYSA-N
XLogP2.26
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.26
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]-diethylazanium?
The IUPAC name of [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium (CID 11782398) is [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium.
What is the SMILES notation for [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium?
The canonical SMILES for [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium is CCN(/C=C(\F)C=[N+](CC)CC)CC.
What is the InChIKey of [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium?
The InChIKey is SBBCHMMLNPEFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN2/c1-5-13(6-2)9-11(12)10-14(7-3)8-4/h9-10H,5-8H2,1-4H3/q+1.
What are the key properties of [(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium?
[(Z)-3-(diethylamino)-2-fluoroprop-2-enylidene]-diethylazanium has a molecular weight of 201.31 g/mol, XLogP of 2.26, 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 is sourced from PubChem (CID 11782398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).