tetra(propan-2-yl)azanium fluoride

C12H28FN — CID 18764598

IUPACtetra(propan-2-yl)azanium fluoride
SMILESCC(C)[N+](C(C)C)(C(C)C)C(C)C.[F-]
InChIInChI=1S/C12H28N.FH/c1-9(2)13(10(3)4,11(5)6)12(7)8;/h9-12H,1-8H3;1H/q+1;/p-1
InChIKeyKMUYKILZAMVROR-UHFFFAOYSA-M
MW205.36 g/mol
LogP0.44
Rot. Bonds4

About tetra(propan-2-yl)azanium fluoride

tetra(propan-2-yl)azanium fluoride (PubChem CID 18764598) has the molecular formula C12H28FN and a molecular weight of 205.36 g/mol. Its IUPAC name is tetra(propan-2-yl)azanium fluoride.

Molecular Properties

Compound Nametetra(propan-2-yl)azanium fluoride
PubChem CID18764598
Molecular FormulaC12H28FN
Molecular Weight205.36 g/mol
Exact Mass205.22
IUPAC Nametetra(propan-2-yl)azanium fluoride
SMILESCC(C)[N+](C(C)C)(C(C)C)C(C)C.[F-]
InChIInChI=1S/C12H28N.FH/c1-9(2)13(10(3)4,11(5)6)12(7)8;/h9-12H,1-8H3;1H/q+1;/p-1
InChIKeyKMUYKILZAMVROR-UHFFFAOYSA-M
XLogP0.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.36
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

tetramethylazanium;tetra(propan-2-yl)azanium;dihydroxide
CID 159779261
carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;chloride
CID 23633948
carbon monoxide;molybdenum;tetra(propan-2-yl)azanium;iodide
CID 23633949
2-methylpropane;sulfane
CID 20976886
tetrakis(3-hydroxybutan-2-yl)azanium chloride
CID 19093158
methoxy-dimethyl-propan-2-ylazanium fluoride
CID 175254438
tetrakis(propan-2-ylamino)phosphanium
CID 87251756
amino-methyl-(methylamino)-propan-2-ylazanium
CID 163498643
erbium(3+);tris(propan-2-olate)
CID 2734042
hydroxy-methyl-di(propan-2-yl)azanium
CID 138728861
2-methyl(213C)propane
CID 11240418
CID 87569665
CID 87569665

Frequently Asked Questions

What is the IUPAC name of tetra(propan-2-yl)azanium fluoride?
The IUPAC name of tetra(propan-2-yl)azanium fluoride (CID 18764598) is tetra(propan-2-yl)azanium fluoride.
What is the SMILES notation for tetra(propan-2-yl)azanium fluoride?
The canonical SMILES for tetra(propan-2-yl)azanium fluoride is CC(C)[N+](C(C)C)(C(C)C)C(C)C.[F-].
What is the InChIKey of tetra(propan-2-yl)azanium fluoride?
The InChIKey is KMUYKILZAMVROR-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H28N.FH/c1-9(2)13(10(3)4,11(5)6)12(7)8;/h9-12H,1-8H3;1H/q+1;/p-1.
What are the key properties of tetra(propan-2-yl)azanium fluoride?
tetra(propan-2-yl)azanium fluoride has a molecular weight of 205.36 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetra(propan-2-yl)azanium fluoride is sourced from PubChem (CID 18764598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).