dibutylazanium hexafluorophosphate

C8H20F6NP — CID 23620950

IUPACdibutylazanium hexafluorophosphate
SMILESCCCC[NH2+]CCCC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H19N.F6P/c1-3-5-7-9-8-6-4-2;1-7(2,3,4,5)6/h9H,3-8H2,1-2H3;/q;-1/p+1
InChIKeyUFTCLBFPWIBWFD-UHFFFAOYSA-O
MW275.22 g/mol
LogP4.53
Rot. Bonds6

About dibutylazanium hexafluorophosphate

dibutylazanium hexafluorophosphate (PubChem CID 23620950) has the molecular formula C8H20F6NP and a molecular weight of 275.22 g/mol. Its IUPAC name is dibutylazanium hexafluorophosphate.

Molecular Properties

Compound Namedibutylazanium hexafluorophosphate
PubChem CID23620950
Molecular FormulaC8H20F6NP
Molecular Weight275.22 g/mol
Exact Mass275.12
IUPAC Namedibutylazanium hexafluorophosphate
SMILESCCCC[NH2+]CCCC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C8H19N.F6P/c1-3-5-7-9-8-6-4-2;1-7(2,3,4,5)6/h9H,3-8H2,1-2H3;/q;-1/p+1
InChIKeyUFTCLBFPWIBWFD-UHFFFAOYSA-O
XLogP4.53
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.22
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dibutylazanium hexafluorophosphate?
The IUPAC name of dibutylazanium hexafluorophosphate (CID 23620950) is dibutylazanium hexafluorophosphate.
What is the SMILES notation for dibutylazanium hexafluorophosphate?
The canonical SMILES for dibutylazanium hexafluorophosphate is CCCC[NH2+]CCCC.F[P-](F)(F)(F)(F)F.
What is the InChIKey of dibutylazanium hexafluorophosphate?
The InChIKey is UFTCLBFPWIBWFD-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H19N.F6P/c1-3-5-7-9-8-6-4-2;1-7(2,3,4,5)6/h9H,3-8H2,1-2H3;/q;-1/p+1.
What are the key properties of dibutylazanium hexafluorophosphate?
dibutylazanium hexafluorophosphate has a molecular weight of 275.22 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dibutylazanium hexafluorophosphate is sourced from PubChem (CID 23620950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).