tetramethylazanium;trifluoro(trifluoromethyl)boranuide

C5H12BF6N — CID 178088832

IUPACtetramethylazanium;trifluoro(trifluoromethyl)boranuide
SMILESC[N+](C)(C)C.F[B-](F)(F)C(F)(F)F
InChIInChI=1S/C4H12N.CBF6/c1-5(2,3)4;3-1(4,5)2(6,7)8/h1-4H3;/q+1;-1
InChIKeyQYZTVRUNHPEVLA-UHFFFAOYSA-N
MW210.96 g/mol
LogP2.26
Rot. Bonds

About tetramethylazanium;trifluoro(trifluoromethyl)boranuide

tetramethylazanium;trifluoro(trifluoromethyl)boranuide (PubChem CID 178088832) has the molecular formula C5H12BF6N and a molecular weight of 210.96 g/mol. Its IUPAC name is tetramethylazanium;trifluoro(trifluoromethyl)boranuide.

Molecular Properties

Compound Nametetramethylazanium;trifluoro(trifluoromethyl)boranuide
PubChem CID178088832
Molecular FormulaC5H12BF6N
Molecular Weight210.96 g/mol
Exact Mass211.10
IUPAC Nametetramethylazanium;trifluoro(trifluoromethyl)boranuide
SMILESC[N+](C)(C)C.F[B-](F)(F)C(F)(F)F
InChIInChI=1S/C4H12N.CBF6/c1-5(2,3)4;3-1(4,5)2(6,7)8/h1-4H3;/q+1;-1
InChIKeyQYZTVRUNHPEVLA-UHFFFAOYSA-N
XLogP2.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.96
LogP ≤ 52.26
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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Related Compounds

Tetramethylammonium tetrafluoroborate
CID 12621
Trimethyl(trifluoromethyl)azanium fluoride
CID 158312207
Methane;trimethyl(trifluoromethyl)azanium;fluoride
CID 160166721
Tetrafluoromethane;tetramethylazanium
CID 160604154
Hydron;tetramethylazanium;tetrafluoroborate
CID 88640881

Frequently Asked Questions

What is the IUPAC name of tetramethylazanium;trifluoro(trifluoromethyl)boranuide?
The IUPAC name of tetramethylazanium;trifluoro(trifluoromethyl)boranuide (CID 178088832) is tetramethylazanium;trifluoro(trifluoromethyl)boranuide.
What is the SMILES notation for tetramethylazanium;trifluoro(trifluoromethyl)boranuide?
The canonical SMILES for tetramethylazanium;trifluoro(trifluoromethyl)boranuide is C[N+](C)(C)C.F[B-](F)(F)C(F)(F)F.
What is the InChIKey of tetramethylazanium;trifluoro(trifluoromethyl)boranuide?
The InChIKey is QYZTVRUNHPEVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N.CBF6/c1-5(2,3)4;3-1(4,5)2(6,7)8/h1-4H3;/q+1;-1.
What are the key properties of tetramethylazanium;trifluoro(trifluoromethyl)boranuide?
tetramethylazanium;trifluoro(trifluoromethyl)boranuide has a molecular weight of 210.96 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetramethylazanium;trifluoro(trifluoromethyl)boranuide is sourced from PubChem (CID 178088832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).