ethane;tetraethylazanium;octatetrafluoroborate

C10H26B8F32N-7 — CID 173127151

IUPACethane;tetraethylazanium;octatetrafluoroborate
SMILESCC.CC[N+](CC)(CC)CC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H20N.C2H6.8BF4/c1-5-9(6-2,7-3)8-4;1-2;8*2-1(3,4)5/h5-8H2,1-4H3;1-2H3;;;;;;;;/q+1;;8*-1
InChIKeyDZIBQQVTMVFKPD-UHFFFAOYSA-N
MW854.76 g/mol
LogP13.31
Rot. Bonds4

About ethane;tetraethylazanium;octatetrafluoroborate

ethane;tetraethylazanium;octatetrafluoroborate (PubChem CID 173127151) has the molecular formula C10H26B8F32N-7 and a molecular weight of 854.76 g/mol. Its IUPAC name is ethane;tetraethylazanium;octatetrafluoroborate.

Molecular Properties

Compound Nameethane;tetraethylazanium;octatetrafluoroborate
PubChem CID173127151
Molecular FormulaC10H26B8F32N-7
Molecular Weight854.76 g/mol
Exact Mass856.23
IUPAC Nameethane;tetraethylazanium;octatetrafluoroborate
SMILESCC.CC[N+](CC)(CC)CC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F
InChIInChI=1S/C8H20N.C2H6.8BF4/c1-5-9(6-2,7-3)8-4;1-2;8*2-1(3,4)5/h5-8H2,1-4H3;1-2H3;;;;;;;;/q+1;;8*-1
InChIKeyDZIBQQVTMVFKPD-UHFFFAOYSA-N
XLogP13.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500854.76
LogP ≤ 513.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;tetraethylazanium;octatetrafluoroborate?
The IUPAC name of ethane;tetraethylazanium;octatetrafluoroborate (CID 173127151) is ethane;tetraethylazanium;octatetrafluoroborate.
What is the SMILES notation for ethane;tetraethylazanium;octatetrafluoroborate?
The canonical SMILES for ethane;tetraethylazanium;octatetrafluoroborate is CC.CC[N+](CC)(CC)CC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.
What is the InChIKey of ethane;tetraethylazanium;octatetrafluoroborate?
The InChIKey is DZIBQQVTMVFKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.C2H6.8BF4/c1-5-9(6-2,7-3)8-4;1-2;8*2-1(3,4)5/h5-8H2,1-4H3;1-2H3;;;;;;;;/q+1;;8*-1.
What are the key properties of ethane;tetraethylazanium;octatetrafluoroborate?
ethane;tetraethylazanium;octatetrafluoroborate has a molecular weight of 854.76 g/mol, XLogP of 13.31, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;tetraethylazanium;octatetrafluoroborate is sourced from PubChem (CID 173127151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).