tributyl(tetradecyl)phosphanium hexafluorophosphate

C26H56F6P2 — CID 23087004

IUPACtributyl(tetradecyl)phosphanium hexafluorophosphate
SMILESCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C26H56P.F6P/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;1-7(2,3,4,5)6/h5-26H2,1-4H3;/q+1;-1
InChIKeyUOWSWMLUIMPODN-UHFFFAOYSA-N
MW544.67 g/mol
LogP13.49
Rot. Bonds22

About tributyl(tetradecyl)phosphanium hexafluorophosphate

tributyl(tetradecyl)phosphanium hexafluorophosphate (PubChem CID 23087004) has the molecular formula C26H56F6P2 and a molecular weight of 544.67 g/mol. Its IUPAC name is tributyl(tetradecyl)phosphanium hexafluorophosphate.

Molecular Properties

Compound Nametributyl(tetradecyl)phosphanium hexafluorophosphate
PubChem CID23087004
Molecular FormulaC26H56F6P2
Molecular Weight544.67 g/mol
Exact Mass544.38
IUPAC Nametributyl(tetradecyl)phosphanium hexafluorophosphate
SMILESCCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C26H56P.F6P/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;1-7(2,3,4,5)6/h5-26H2,1-4H3;/q+1;-1
InChIKeyUOWSWMLUIMPODN-UHFFFAOYSA-N
XLogP13.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds22
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.67
LogP ≤ 513.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze tributyl(tetradecyl)phosphanium hexafluorophosphate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tributyl(decyl)phosphanium hexafluorophosphate
CID 23087009
tributyl(tridecyl)phosphanium
CID 87194469
tributyl(icosyl)phosphanium
CID 23086982
butyl(triheptyl)phosphanium
CID 87777247
azane;tributyl(hexadecyl)phosphanium
CID 172712894
tributyl(tetradecyl)phosphanium;hydrochloride
CID 174356209
dibutyl(didecyl)phosphanium chloride
CID 87777295
tributyl(pentadecyl)phosphanium bromide
CID 86639781
antimony(3+);tributyl(dodecyl)phosphanium
CID 158196922
dibutyl(didecyl)phosphanium iodide
CID 87776919
trihexyl-[12-[hexyl(dioctyl)phosphaniumyl]dodecyl]phosphanium
CID 158334391
heptyl-tri(undecyl)phosphanium
CID 87895668

Frequently Asked Questions

What is the IUPAC name of tributyl(tetradecyl)phosphanium hexafluorophosphate?
The IUPAC name of tributyl(tetradecyl)phosphanium hexafluorophosphate (CID 23087004) is tributyl(tetradecyl)phosphanium hexafluorophosphate.
What is the SMILES notation for tributyl(tetradecyl)phosphanium hexafluorophosphate?
The canonical SMILES for tributyl(tetradecyl)phosphanium hexafluorophosphate is CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.F[P-](F)(F)(F)(F)F.
What is the InChIKey of tributyl(tetradecyl)phosphanium hexafluorophosphate?
The InChIKey is UOWSWMLUIMPODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56P.F6P/c1-5-9-13-14-15-16-17-18-19-20-21-22-26-27(23-10-6-2,24-11-7-3)25-12-8-4;1-7(2,3,4,5)6/h5-26H2,1-4H3;/q+1;-1.
What are the key properties of tributyl(tetradecyl)phosphanium hexafluorophosphate?
tributyl(tetradecyl)phosphanium hexafluorophosphate has a molecular weight of 544.67 g/mol, XLogP of 13.49, 22 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(tetradecyl)phosphanium hexafluorophosphate is sourced from PubChem (CID 23087004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).