fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium)

C22H44F9N2O3P — CID 178182662

IUPACfluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium)
SMILESCC[N+](CC)(CC)CCCC(F)(F)C(F)F.CC[N+](CC)(CC)CCCC(F)(F)C(F)F.O=P([O-])([O-])F
InChIInChI=1S/2C11H22F4N.FH2O3P/c2*1-4-16(5-2,6-3)9-7-8-11(14,15)10(12)13;1-5(2,3)4/h2*10H,4-9H2,1-3H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyUIFVGAUZUYPZHQ-UHFFFAOYSA-L
MW586.56 g/mol
LogP5.87
Rot. Bonds16

About fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium)

fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium) (PubChem CID 178182662) has the molecular formula C22H44F9N2O3P and a molecular weight of 586.56 g/mol. Its IUPAC name is fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium).

Molecular Properties

Compound Namefluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium)
PubChem CID178182662
Molecular FormulaC22H44F9N2O3P
Molecular Weight586.56 g/mol
Exact Mass586.29
IUPAC Namefluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium)
SMILESCC[N+](CC)(CC)CCCC(F)(F)C(F)F.CC[N+](CC)(CC)CCCC(F)(F)C(F)F.O=P([O-])([O-])F
InChIInChI=1S/2C11H22F4N.FH2O3P/c2*1-4-16(5-2,6-3)9-7-8-11(14,15)10(12)13;1-5(2,3)4/h2*10H,4-9H2,1-3H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyUIFVGAUZUYPZHQ-UHFFFAOYSA-L
XLogP5.87
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.56
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium) 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

fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium)
CID 178182701
tris(dibutyl-[6-[dibutyl(ethyl)azaniumyl]hexyl]-ethylazanium) diphosphate
CID 22362194
fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium)
CID 178182746
4,4,5,5-tetrafluoropentan-1-amine
CID 130986187
bis(1-ethyl-3-methyl-2-(2,2,3,3-tetrafluoropropyl)imidazol-3-ium);fluoro-dioxido-oxo-λ5-phosphane
CID 178182595
ethenyl-dioxido-oxo-λ5-phosphane;bis(triethyl(hexacosyl)azanium)
CID 141082200
dihydrogen phosphate;triethyl(3-sulfopropyl)azanium
CID 167413337
phosphoric acid;triethyl(pentyl)azanium
CID 87212013
2-(4,4,5,5-tetrafluoropentylsulfanyl)butanoic acid
CID 87342304
[difluoro(phosphonato)methyl]-hydroxyphosphinate;tris(tetrabutylazanium)
CID 15667206
tris(tributyl-(4-ethyl-6,6,6-trifluorohexyl)azanium);phosphate
CID 178182530
dodecyl(triethyl)azanium;phosphoric acid
CID 87142595

Frequently Asked Questions

What is the IUPAC name of fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium)?
The IUPAC name of fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium) (CID 178182662) is fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium).
What is the SMILES notation for fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium)?
The canonical SMILES for fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium) is CC[N+](CC)(CC)CCCC(F)(F)C(F)F.CC[N+](CC)(CC)CCCC(F)(F)C(F)F.O=P([O-])([O-])F.
What is the InChIKey of fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium)?
The InChIKey is UIFVGAUZUYPZHQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H22F4N.FH2O3P/c2*1-4-16(5-2,6-3)9-7-8-11(14,15)10(12)13;1-5(2,3)4/h2*10H,4-9H2,1-3H3;(H2,2,3,4)/q2*+1;/p-2.
What are the key properties of fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium)?
fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium) has a molecular weight of 586.56 g/mol, XLogP of 5.87, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(4,4,5,5-tetrafluoropentyl)azanium) is sourced from PubChem (CID 178182662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).