triethyl(methyl)azanium tetrafluoroborate

C7H18BF4N — CID 11745724

IUPACtriethyl(methyl)azanium tetrafluoroborate
SMILESCC[N+](C)(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C7H18N.BF4/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1
InChIKeyOHZMHURLSZDGTO-UHFFFAOYSA-N
MW203.03 g/mol
LogP2.79
Rot. Bonds3

About triethyl(methyl)azanium tetrafluoroborate

triethyl(methyl)azanium tetrafluoroborate (PubChem CID 11745724) has the molecular formula C7H18BF4N and a molecular weight of 203.03 g/mol. Its IUPAC name is triethyl(methyl)azanium tetrafluoroborate.

Molecular Properties

Compound Nametriethyl(methyl)azanium tetrafluoroborate
PubChem CID11745724
Molecular FormulaC7H18BF4N
Molecular Weight203.03 g/mol
Exact Mass203.15
IUPAC Nametriethyl(methyl)azanium tetrafluoroborate
SMILESCC[N+](C)(CC)CC.F[B-](F)(F)F
InChIInChI=1S/C7H18N.BF4/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1
InChIKeyOHZMHURLSZDGTO-UHFFFAOYSA-N
XLogP2.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.03
LogP ≤ 52.79
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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Frequently Asked Questions

What is the IUPAC name of triethyl(methyl)azanium tetrafluoroborate?
The IUPAC name of triethyl(methyl)azanium tetrafluoroborate (CID 11745724) is triethyl(methyl)azanium tetrafluoroborate.
What is the SMILES notation for triethyl(methyl)azanium tetrafluoroborate?
The canonical SMILES for triethyl(methyl)azanium tetrafluoroborate is CC[N+](C)(CC)CC.F[B-](F)(F)F.
What is the InChIKey of triethyl(methyl)azanium tetrafluoroborate?
The InChIKey is OHZMHURLSZDGTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N.BF4/c1-5-8(4,6-2)7-3;2-1(3,4)5/h5-7H2,1-4H3;/q+1;-1.
What are the key properties of triethyl(methyl)azanium tetrafluoroborate?
triethyl(methyl)azanium tetrafluoroborate has a molecular weight of 203.03 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(methyl)azanium tetrafluoroborate is sourced from PubChem (CID 11745724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).