[dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide

C6H15BF3N — CID 163520649

IUPAC[dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide
SMILESCC(C)[N+](C)(C)C[B-](F)(F)F
InChIInChI=1S/C6H15BF3N/c1-6(2)11(3,4)5-7(8,9)10/h6H,5H2,1-4H3
InChIKeyDKNALFPLBCQJML-UHFFFAOYSA-N
MW169.00 g/mol
LogP1.86
Rot. Bonds3

About [dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide

[dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide (PubChem CID 163520649) has the molecular formula C6H15BF3N and a molecular weight of 169.00 g/mol. Its IUPAC name is [dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide.

Molecular Properties

Compound Name[dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide
PubChem CID163520649
Molecular FormulaC6H15BF3N
Molecular Weight169.00 g/mol
Exact Mass169.12
IUPAC Name[dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide
SMILESCC(C)[N+](C)(C)C[B-](F)(F)F
InChIInChI=1S/C6H15BF3N/c1-6(2)11(3,4)5-7(8,9)10/h6H,5H2,1-4H3
InChIKeyDKNALFPLBCQJML-UHFFFAOYSA-N
XLogP1.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.00
LogP ≤ 51.86
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 [dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide?
The IUPAC name of [dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide (CID 163520649) is [dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide.
What is the SMILES notation for [dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide?
The canonical SMILES for [dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide is CC(C)[N+](C)(C)C[B-](F)(F)F.
What is the InChIKey of [dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide?
The InChIKey is DKNALFPLBCQJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15BF3N/c1-6(2)11(3,4)5-7(8,9)10/h6H,5H2,1-4H3.
What are the key properties of [dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide?
[dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide has a molecular weight of 169.00 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [dimethyl(propan-2-yl)azaniumyl]methyl-trifluoroboranuide is sourced from PubChem (CID 163520649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).