tetratert-butylazanium tetrafluoroborate

C16H36BF4N — CID 14646938

IUPACtetratert-butylazanium tetrafluoroborate
SMILESCC(C)(C)[N+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C16H36N.BF4/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12;2-1(3,4)5/h1-12H3;/q+1;-1
InChIKeyPRVUFTOZWHRSKI-UHFFFAOYSA-N
MW329.28 g/mol
LogP6.30
Rot. Bonds

About tetratert-butylazanium tetrafluoroborate

tetratert-butylazanium tetrafluoroborate (PubChem CID 14646938) has the molecular formula C16H36BF4N and a molecular weight of 329.28 g/mol. Its IUPAC name is tetratert-butylazanium tetrafluoroborate.

Molecular Properties

Compound Nametetratert-butylazanium tetrafluoroborate
PubChem CID14646938
Molecular FormulaC16H36BF4N
Molecular Weight329.28 g/mol
Exact Mass329.29
IUPAC Nametetratert-butylazanium tetrafluoroborate
SMILESCC(C)(C)[N+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.F[B-](F)(F)F
InChIInChI=1S/C16H36N.BF4/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12;2-1(3,4)5/h1-12H3;/q+1;-1
InChIKeyPRVUFTOZWHRSKI-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.28
LogP ≤ 56.30
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 tetratert-butylazanium tetrafluoroborate?
The IUPAC name of tetratert-butylazanium tetrafluoroborate (CID 14646938) is tetratert-butylazanium tetrafluoroborate.
What is the SMILES notation for tetratert-butylazanium tetrafluoroborate?
The canonical SMILES for tetratert-butylazanium tetrafluoroborate is CC(C)(C)[N+](C(C)(C)C)(C(C)(C)C)C(C)(C)C.F[B-](F)(F)F.
What is the InChIKey of tetratert-butylazanium tetrafluoroborate?
The InChIKey is PRVUFTOZWHRSKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N.BF4/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12;2-1(3,4)5/h1-12H3;/q+1;-1.
What are the key properties of tetratert-butylazanium tetrafluoroborate?
tetratert-butylazanium tetrafluoroborate has a molecular weight of 329.28 g/mol, XLogP of 6.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetratert-butylazanium tetrafluoroborate is sourced from PubChem (CID 14646938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).