cyano(triethyl)azanium tetrafluoroborate

C7H15BF4N2 — CID 22564450

IUPACcyano(triethyl)azanium tetrafluoroborate
SMILESCC[N+](C#N)(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C7H15N2.BF4/c1-4-9(5-2,6-3)7-8;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1
InChIKeyMFIGHIZLLBGHTR-UHFFFAOYSA-N
MW214.01 g/mol
LogP2.64
Rot. Bonds3

About cyano(triethyl)azanium tetrafluoroborate

cyano(triethyl)azanium tetrafluoroborate (PubChem CID 22564450) has the molecular formula C7H15BF4N2 and a molecular weight of 214.01 g/mol. Its IUPAC name is cyano(triethyl)azanium tetrafluoroborate.

Molecular Properties

Compound Namecyano(triethyl)azanium tetrafluoroborate
PubChem CID22564450
Molecular FormulaC7H15BF4N2
Molecular Weight214.01 g/mol
Exact Mass214.13
IUPAC Namecyano(triethyl)azanium tetrafluoroborate
SMILESCC[N+](C#N)(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C7H15N2.BF4/c1-4-9(5-2,6-3)7-8;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1
InChIKeyMFIGHIZLLBGHTR-UHFFFAOYSA-N
XLogP2.64
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.01
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'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(triethyl)azanium tetrafluoroborate?
The IUPAC name of cyano(triethyl)azanium tetrafluoroborate (CID 22564450) is cyano(triethyl)azanium tetrafluoroborate.
What is the SMILES notation for cyano(triethyl)azanium tetrafluoroborate?
The canonical SMILES for cyano(triethyl)azanium tetrafluoroborate is CC[N+](C#N)(CC)CC.F[B-](F)(F)F.
What is the InChIKey of cyano(triethyl)azanium tetrafluoroborate?
The InChIKey is MFIGHIZLLBGHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2.BF4/c1-4-9(5-2,6-3)7-8;2-1(3,4)5/h4-6H2,1-3H3;/q+1;-1.
What are the key properties of cyano(triethyl)azanium tetrafluoroborate?
cyano(triethyl)azanium tetrafluoroborate has a molecular weight of 214.01 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(triethyl)azanium tetrafluoroborate is sourced from PubChem (CID 22564450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).