dodecyl(triphenyl)phosphanium fluoride

C30H40FP — CID 88725542

IUPACdodecyl(triphenyl)phosphanium fluoride
SMILESCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[F-]
InChIInChI=1S/C30H40P.FH/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1
InChIKeyKUVIBKRHARALHD-UHFFFAOYSA-M
MW450.62 g/mol
LogP4.91
Rot. Bonds14

About dodecyl(triphenyl)phosphanium fluoride

dodecyl(triphenyl)phosphanium fluoride (PubChem CID 88725542) has the molecular formula C30H40FP and a molecular weight of 450.62 g/mol. Its IUPAC name is dodecyl(triphenyl)phosphanium fluoride.

Molecular Properties

Compound Namedodecyl(triphenyl)phosphanium fluoride
PubChem CID88725542
Molecular FormulaC30H40FP
Molecular Weight450.62 g/mol
Exact Mass450.29
IUPAC Namedodecyl(triphenyl)phosphanium fluoride
SMILESCCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[F-]
InChIInChI=1S/C30H40P.FH/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1
InChIKeyKUVIBKRHARALHD-UHFFFAOYSA-M
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.62
LogP ≤ 54.91
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'}

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Related Compounds

hexyl(triphenyl)phosphanium
CID 2724570
dodecyl(triphenyl)phosphanium iodide
CID 22245251
triphenyl(undecyl)phosphanium chloride
CID 22921220
nonyl(triphenyl)phosphanium;phosphane;bromide
CID 174988859
nonyl(triphenyl)phosphanium;trichlorozinc(1-)
CID 19420228
triphenyl(tetradecyl)phosphanium phenoxide
CID 18356136
octyl(triphenyl)phosphanium phenoxide
CID 18355967
butyl(triphenyl)phosphanium;phosphane;chloride
CID 172806882
[(12E,24E,36E,48E,60E)-hexahexaconta-12,24,36,48,60-pentaenyl]-triphenylphosphanium
CID 10796462
triphenyl-[(Z)-tetradec-7-enyl]phosphanium
CID 42631990
[(E)-pentadec-4-enyl]-triphenylphosphanium iodide
CID 10698794
triphenyl(7-triphenylphosphaniumylheptyl)phosphanium dibromide
CID 19082496

Frequently Asked Questions

What is the IUPAC name of dodecyl(triphenyl)phosphanium fluoride?
The IUPAC name of dodecyl(triphenyl)phosphanium fluoride (CID 88725542) is dodecyl(triphenyl)phosphanium fluoride.
What is the SMILES notation for dodecyl(triphenyl)phosphanium fluoride?
The canonical SMILES for dodecyl(triphenyl)phosphanium fluoride is CCCCCCCCCCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[F-].
What is the InChIKey of dodecyl(triphenyl)phosphanium fluoride?
The InChIKey is KUVIBKRHARALHD-UHFFFAOYSA-M. The full InChI is InChI=1S/C30H40P.FH/c1-2-3-4-5-6-7-8-9-10-20-27-31(28-21-14-11-15-22-28,29-23-16-12-17-24-29)30-25-18-13-19-26-30;/h11-19,21-26H,2-10,20,27H2,1H3;1H/q+1;/p-1.
What are the key properties of dodecyl(triphenyl)phosphanium fluoride?
dodecyl(triphenyl)phosphanium fluoride has a molecular weight of 450.62 g/mol, XLogP of 4.91, 14 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dodecyl(triphenyl)phosphanium fluoride is sourced from PubChem (CID 88725542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).