[(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide

C14H24F5IN2O — CID 11408483

IUPAC[(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide
SMILESCCN(/C=C(/C=[N+](CC)CC)OCC(F)(F)C(F)(F)F)CC.[I-]
InChIInChI=1S/C14H24F5N2O.HI/c1-5-20(6-2)9-12(10-21(7-3)8-4)22-11-13(15,16)14(17,18)19;/h9-10H,5-8,11H2,1-4H3;1H/q+1;/p-1
InChIKeyOUWHRLRLNNZLOE-UHFFFAOYSA-M
MW458.25 g/mol
LogP0.51
Rot. Bonds9

About [(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide

[(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide (PubChem CID 11408483) has the molecular formula C14H24F5IN2O and a molecular weight of 458.25 g/mol. Its IUPAC name is [(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide.

Molecular Properties

Compound Name[(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide
PubChem CID11408483
Molecular FormulaC14H24F5IN2O
Molecular Weight458.25 g/mol
Exact Mass458.09
IUPAC Name[(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide
SMILESCCN(/C=C(/C=[N+](CC)CC)OCC(F)(F)C(F)(F)F)CC.[I-]
InChIInChI=1S/C14H24F5N2O.HI/c1-5-20(6-2)9-12(10-21(7-3)8-4)22-11-13(15,16)14(17,18)19;/h9-10H,5-8,11H2,1-4H3;1H/q+1;/p-1
InChIKeyOUWHRLRLNNZLOE-UHFFFAOYSA-M
XLogP0.51
TPSA15.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.25
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide?
The IUPAC name of [(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide (CID 11408483) is [(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide.
What is the SMILES notation for [(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide?
The canonical SMILES for [(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide is CCN(/C=C(/C=[N+](CC)CC)OCC(F)(F)C(F)(F)F)CC.[I-].
What is the InChIKey of [(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide?
The InChIKey is OUWHRLRLNNZLOE-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H24F5N2O.HI/c1-5-20(6-2)9-12(10-21(7-3)8-4)22-11-13(15,16)14(17,18)19;/h9-10H,5-8,11H2,1-4H3;1H/q+1;/p-1.
What are the key properties of [(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide?
[(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide has a molecular weight of 458.25 g/mol, XLogP of 0.51, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(diethylamino)-2-(2,2,3,3,3-pentafluoropropoxy)prop-2-enylidene]-diethylazanium iodide is sourced from PubChem (CID 11408483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).