cyano(trifluoro)boranuide;tetraethylazanium

C9H20BF3N2 — CID 87173665

IUPACcyano(trifluoro)boranuide;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.N#C[B-](F)(F)F
InChIInChI=1S/C8H20N.CBF3N/c1-5-9(6-2,7-3)8-4;3-2(4,5)1-6/h5-8H2,1-4H3;/q+1;-1
InChIKeyCTYCCCVDQFPVJL-UHFFFAOYSA-N
MW224.08 g/mol
LogP2.78
Rot. Bonds4

About cyano(trifluoro)boranuide;tetraethylazanium

cyano(trifluoro)boranuide;tetraethylazanium (PubChem CID 87173665) has the molecular formula C9H20BF3N2 and a molecular weight of 224.08 g/mol. Its IUPAC name is cyano(trifluoro)boranuide;tetraethylazanium.

Molecular Properties

Compound Namecyano(trifluoro)boranuide;tetraethylazanium
PubChem CID87173665
Molecular FormulaC9H20BF3N2
Molecular Weight224.08 g/mol
Exact Mass224.17
IUPAC Namecyano(trifluoro)boranuide;tetraethylazanium
SMILESCC[N+](CC)(CC)CC.N#C[B-](F)(F)F
InChIInChI=1S/C8H20N.CBF3N/c1-5-9(6-2,7-3)8-4;3-2(4,5)1-6/h5-8H2,1-4H3;/q+1;-1
InChIKeyCTYCCCVDQFPVJL-UHFFFAOYSA-N
XLogP2.78
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.08
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 cyano(trifluoro)boranuide;tetraethylazanium?
The IUPAC name of cyano(trifluoro)boranuide;tetraethylazanium (CID 87173665) is cyano(trifluoro)boranuide;tetraethylazanium.
What is the SMILES notation for cyano(trifluoro)boranuide;tetraethylazanium?
The canonical SMILES for cyano(trifluoro)boranuide;tetraethylazanium is CC[N+](CC)(CC)CC.N#C[B-](F)(F)F.
What is the InChIKey of cyano(trifluoro)boranuide;tetraethylazanium?
The InChIKey is CTYCCCVDQFPVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N.CBF3N/c1-5-9(6-2,7-3)8-4;3-2(4,5)1-6/h5-8H2,1-4H3;/q+1;-1.
What are the key properties of cyano(trifluoro)boranuide;tetraethylazanium?
cyano(trifluoro)boranuide;tetraethylazanium has a molecular weight of 224.08 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(trifluoro)boranuide;tetraethylazanium is sourced from PubChem (CID 87173665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).