tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium

C15H25F9O3P+ — CID 132572424

IUPACtris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium
SMILESOCCC[P+](CCCO)(CCCO)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F9O3P/c16-12(17,13(18,19)14(20,21)15(22,23)24)4-11-28(8-1-5-25,9-2-6-26)10-3-7-27/h25-27H,1-11H2/q+1
InChIKeySTVGHDODYWEMFC-UHFFFAOYSA-N
MW455.32 g/mol
LogP4.01
Rot. Bonds14

About tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium

tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium (PubChem CID 132572424) has the molecular formula C15H25F9O3P+ and a molecular weight of 455.32 g/mol. Its IUPAC name is tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium.

Molecular Properties

Compound Nametris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium
PubChem CID132572424
Molecular FormulaC15H25F9O3P+
Molecular Weight455.32 g/mol
Exact Mass455.14
IUPAC Nametris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium
SMILESOCCC[P+](CCCO)(CCCO)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H25F9O3P/c16-12(17,13(18,19)14(20,21)15(22,23)24)4-11-28(8-1-5-25,9-2-6-26)10-3-7-27/h25-27H,1-11H2/q+1
InChIKeySTVGHDODYWEMFC-UHFFFAOYSA-N
XLogP4.01
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.32
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium
CID 101408345
dihexyl-bis(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl)phosphanium iodide
CID 146503666
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-heptadecafluorotridecane-1,3-diol
CID 90696094
6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-henicosafluoro-4-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecyl)pentadecan-1-ol
CID 122214723
sodium;hydride;3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol
CID 175519012
(Z)-8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,15-heptadecafluoropentadec-4-en-1-ol
CID 102085727
methyl-tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phosphanium
CID 10219307
1,1,1,2,2,3,3,4,4,5,5,6,6,11,11,12,12,13,13,14,14,15,15,16,16,16-hexacosafluorohexadecane
CID 12596031
8,8,9,9,10,10,11,11,12,12,13,13,13-tridecafluorotridecane-1,6-diol
CID 162348481
2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139594470
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595183
6,6,7,7,8,8,9,9,10,10,11,11,11-tridecafluoro-2-(4,4,5,5,6,6,7,7,8,8,9,9,9-tridecafluorononyl)undecane-1-thiol
CID 56590157

Frequently Asked Questions

What is the IUPAC name of tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium?
The IUPAC name of tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium (CID 132572424) is tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium.
What is the SMILES notation for tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium?
The canonical SMILES for tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium is OCCC[P+](CCCO)(CCCO)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium?
The InChIKey is STVGHDODYWEMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F9O3P/c16-12(17,13(18,19)14(20,21)15(22,23)24)4-11-28(8-1-5-25,9-2-6-26)10-3-7-27/h25-27H,1-11H2/q+1.
What are the key properties of tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium?
tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium has a molecular weight of 455.32 g/mol, XLogP of 4.01, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tris(3-hydroxypropyl)-(3,3,4,4,5,5,6,6,6-nonafluorohexyl)phosphanium is sourced from PubChem (CID 132572424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).