tetramethylazanium tetrafluoroborate

C4H12BF4N — CID 12621

IUPACtetramethylazanium tetrafluoroborate
SMILESC[N+](C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1
InChIKeyXWFABLFRYCHILB-UHFFFAOYSA-N
MW160.95 g/mol
LogP1.62
Rot. Bonds

About tetramethylazanium tetrafluoroborate

tetramethylazanium tetrafluoroborate (PubChem CID 12621) has the molecular formula C4H12BF4N and a molecular weight of 160.95 g/mol. Its IUPAC name is tetramethylazanium tetrafluoroborate.

Molecular Properties

Compound Nametetramethylazanium tetrafluoroborate
PubChem CID12621
Molecular FormulaC4H12BF4N
Molecular Weight160.95 g/mol
Exact Mass161.10
IUPAC Nametetramethylazanium tetrafluoroborate
SMILESC[N+](C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1
InChIKeyXWFABLFRYCHILB-UHFFFAOYSA-N
XLogP1.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.95
LogP ≤ 51.62
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'}

Analyze tetramethylazanium tetrafluoroborate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetramethylazanium;trifluoro(trifluoromethyl)boranuide
CID 178088832
(Bromomethyl)trimethylammonium tetrafluoroborate
CID 139070071
Tetramethylazanium;trifluoroboranuide
CID 168351395
Tetramethylazanium tetratetrafluoroborate
CID 18366309
N,N-dimethylmethanamine;trifluoroborane
CID 22930251
CID 88392419
CID 88392419
Hydron;tetramethylazanium;tetrafluoroborate
CID 88640881
N,N-dimethylmethanamine tetrafluoroborate
CID 158266844
Fluoro(trimethyl)azanium;trifluoroborane;fluoride
CID 160169959
Cyano(trimethyl)azanium tetrafluoroborate
CID 164909464
N,N-dimethylmethanamine tritetrafluoroborate
CID 173034721
N,N-dimethylmethanamine;hydron;tetrafluoroborate
CID 174246873

Frequently Asked Questions

What is the IUPAC name of tetramethylazanium tetrafluoroborate?
The IUPAC name of tetramethylazanium tetrafluoroborate (CID 12621) is tetramethylazanium tetrafluoroborate.
What is the SMILES notation for tetramethylazanium tetrafluoroborate?
The canonical SMILES for tetramethylazanium tetrafluoroborate is C[N+](C)(C)C.F[B-](F)(F)F.
What is the InChIKey of tetramethylazanium tetrafluoroborate?
The InChIKey is XWFABLFRYCHILB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.BF4/c1-5(2,3)4;2-1(3,4)5/h1-4H3;/q+1;-1.
What are the key properties of tetramethylazanium tetrafluoroborate?
tetramethylazanium tetrafluoroborate has a molecular weight of 160.95 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium tetrafluoroborate is sourced from PubChem (CID 12621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).