furan;tetraethylazanium;bromide

C12H24BrNO — CID 18785220

IUPACfuran;tetraethylazanium;bromide
SMILESCC[N+](CC)(CC)CC.[Br-].c1ccoc1
InChIInChI=1S/C8H20N.C4H4O.BrH/c1-5-9(6-2,7-3)8-4;1-2-4-5-3-1;/h5-8H2,1-4H3;1-4H;1H/q+1;;/p-1
InChIKeyXFLITIRPMMXSQR-UHFFFAOYSA-M
MW278.23 g/mol
LogP0.17
Rot. Bonds4

About furan;tetraethylazanium;bromide

furan;tetraethylazanium;bromide (PubChem CID 18785220) has the molecular formula C12H24BrNO and a molecular weight of 278.23 g/mol. Its IUPAC name is furan;tetraethylazanium;bromide.

Molecular Properties

Compound Namefuran;tetraethylazanium;bromide
PubChem CID18785220
Molecular FormulaC12H24BrNO
Molecular Weight278.23 g/mol
Exact Mass277.10
IUPAC Namefuran;tetraethylazanium;bromide
SMILESCC[N+](CC)(CC)CC.[Br-].c1ccoc1
InChIInChI=1S/C8H20N.C4H4O.BrH/c1-5-9(6-2,7-3)8-4;1-2-4-5-3-1;/h5-8H2,1-4H3;1-4H;1H/q+1;;/p-1
InChIKeyXFLITIRPMMXSQR-UHFFFAOYSA-M
XLogP0.17
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.17
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 furan;tetraethylazanium;bromide?
The IUPAC name of furan;tetraethylazanium;bromide (CID 18785220) is furan;tetraethylazanium;bromide.
What is the SMILES notation for furan;tetraethylazanium;bromide?
The canonical SMILES for furan;tetraethylazanium;bromide is CC[N+](CC)(CC)CC.[Br-].c1ccoc1.
What is the InChIKey of furan;tetraethylazanium;bromide?
The InChIKey is XFLITIRPMMXSQR-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H20N.C4H4O.BrH/c1-5-9(6-2,7-3)8-4;1-2-4-5-3-1;/h5-8H2,1-4H3;1-4H;1H/q+1;;/p-1.
What are the key properties of furan;tetraethylazanium;bromide?
furan;tetraethylazanium;bromide has a molecular weight of 278.23 g/mol, XLogP of 0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for furan;tetraethylazanium;bromide is sourced from PubChem (CID 18785220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).