cyano(trimethyl)azanium tetrafluoroborate

C4H9BF4N2 — CID 164909464

IUPACcyano(trimethyl)azanium tetrafluoroborate
SMILESC[N+](C)(C)C#N.F[B-](F)(F)F
InChIInChI=1S/C4H9N2.BF4/c1-6(2,3)4-5;2-1(3,4)5/h1-3H3;/q+1;-1
InChIKeyWFAQRYWYKNUION-UHFFFAOYSA-N
MW171.93 g/mol
LogP1.47
Rot. Bonds

About cyano(trimethyl)azanium tetrafluoroborate

cyano(trimethyl)azanium tetrafluoroborate (PubChem CID 164909464) has the molecular formula C4H9BF4N2 and a molecular weight of 171.93 g/mol. Its IUPAC name is cyano(trimethyl)azanium tetrafluoroborate.

Molecular Properties

Compound Namecyano(trimethyl)azanium tetrafluoroborate
PubChem CID164909464
Molecular FormulaC4H9BF4N2
Molecular Weight171.93 g/mol
Exact Mass172.08
IUPAC Namecyano(trimethyl)azanium tetrafluoroborate
SMILESC[N+](C)(C)C#N.F[B-](F)(F)F
InChIInChI=1S/C4H9N2.BF4/c1-6(2,3)4-5;2-1(3,4)5/h1-3H3;/q+1;-1
InChIKeyWFAQRYWYKNUION-UHFFFAOYSA-N
XLogP1.47
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.93
LogP ≤ 51.47
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(trimethyl)azanium tetrafluoroborate?
The IUPAC name of cyano(trimethyl)azanium tetrafluoroborate (CID 164909464) is cyano(trimethyl)azanium tetrafluoroborate.
What is the SMILES notation for cyano(trimethyl)azanium tetrafluoroborate?
The canonical SMILES for cyano(trimethyl)azanium tetrafluoroborate is C[N+](C)(C)C#N.F[B-](F)(F)F.
What is the InChIKey of cyano(trimethyl)azanium tetrafluoroborate?
The InChIKey is WFAQRYWYKNUION-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N2.BF4/c1-6(2,3)4-5;2-1(3,4)5/h1-3H3;/q+1;-1.
What are the key properties of cyano(trimethyl)azanium tetrafluoroborate?
cyano(trimethyl)azanium tetrafluoroborate has a molecular weight of 171.93 g/mol, XLogP of 1.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyano(trimethyl)azanium tetrafluoroborate is sourced from PubChem (CID 164909464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).