oxolane;tetraethylazanium;fluoride

C12H28FNO — CID 175536587

IUPACoxolane;tetraethylazanium;fluoride
SMILESC1CCOC1.CC[N+](CC)(CC)CC.[F-]
InChIInChI=1S/C8H20N.C4H8O.FH/c1-5-9(6-2,7-3)8-4;1-2-4-5-3-1;/h5-8H2,1-4H3;1-4H2;1H/q+1;;/p-1
InChIKeyXNHLEQRWNFHOQA-UHFFFAOYSA-M
MW221.36 g/mol
LogP-0.32
Rot. Bonds4

About oxolane;tetraethylazanium;fluoride

oxolane;tetraethylazanium;fluoride (PubChem CID 175536587) has the molecular formula C12H28FNO and a molecular weight of 221.36 g/mol. Its IUPAC name is oxolane;tetraethylazanium;fluoride.

Molecular Properties

Compound Nameoxolane;tetraethylazanium;fluoride
PubChem CID175536587
Molecular FormulaC12H28FNO
Molecular Weight221.36 g/mol
Exact Mass221.22
IUPAC Nameoxolane;tetraethylazanium;fluoride
SMILESC1CCOC1.CC[N+](CC)(CC)CC.[F-]
InChIInChI=1S/C8H20N.C4H8O.FH/c1-5-9(6-2,7-3)8-4;1-2-4-5-3-1;/h5-8H2,1-4H3;1-4H2;1H/q+1;;/p-1
InChIKeyXNHLEQRWNFHOQA-UHFFFAOYSA-M
XLogP-0.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.36
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxolane;tetraethylazanium;fluoride?
The IUPAC name of oxolane;tetraethylazanium;fluoride (CID 175536587) is oxolane;tetraethylazanium;fluoride.
What is the SMILES notation for oxolane;tetraethylazanium;fluoride?
The canonical SMILES for oxolane;tetraethylazanium;fluoride is C1CCOC1.CC[N+](CC)(CC)CC.[F-].
What is the InChIKey of oxolane;tetraethylazanium;fluoride?
The InChIKey is XNHLEQRWNFHOQA-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C4H8O.FH/c1-5-9(6-2,7-3)8-4;1-2-4-5-3-1;/h5-8H2,1-4H3;1-4H2;1H/q+1;;/p-1.
What are the key properties of oxolane;tetraethylazanium;fluoride?
oxolane;tetraethylazanium;fluoride has a molecular weight of 221.36 g/mol, XLogP of -0.32, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxolane;tetraethylazanium;fluoride is sourced from PubChem (CID 175536587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).