fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium)

C32H64FN2O3P — CID 178182746

IUPACfluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium)
SMILESC#CCC[N+](CCCC)(CCCC)CCCC.C#CCC[N+](CCCC)(CCCC)CCCC.O=P([O-])([O-])F
InChIInChI=1S/2C16H32N.FH2O3P/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*1H,6-16H2,2-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyIOJKCJZVPLNRLN-UHFFFAOYSA-L
MW574.85 g/mol
LogP7.24
Rot. Bonds22

About fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium)

fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium) (PubChem CID 178182746) has the molecular formula C32H64FN2O3P and a molecular weight of 574.85 g/mol. Its IUPAC name is fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium).

Molecular Properties

Compound Namefluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium)
PubChem CID178182746
Molecular FormulaC32H64FN2O3P
Molecular Weight574.85 g/mol
Exact Mass574.46
IUPAC Namefluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium)
SMILESC#CCC[N+](CCCC)(CCCC)CCCC.C#CCC[N+](CCCC)(CCCC)CCCC.O=P([O-])([O-])F
InChIInChI=1S/2C16H32N.FH2O3P/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*1H,6-16H2,2-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyIOJKCJZVPLNRLN-UHFFFAOYSA-L
XLogP7.24
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds22
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.85
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
phosphoric acid;tetrabutylazanium;hydrate
CID 170920427
[difluoro(phosphonato)methyl]-hydroxyphosphinate;tris(tetrabutylazanium)
CID 15667206
prop-2-ynyl phosphate;bis(tetrabutylazanium)
CID 11250600
tris(trimethyl(undecyl)azanium);phosphate
CID 175157194
tris(decyl(trimethyl)azanium);phosphate
CID 141403839
tetrabutylazanium;pentahydrate
CID 173386676
tetrabutylazanium hydroxide
CID 2723671
butyl(tripentyl)azanium
CID 14022644
dodecane;tetrabutylazanium
CID 173225937
bis(tetrabutylazanium);carbonate
CID 14746847

Frequently Asked Questions

What is the IUPAC name of fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium)?
The IUPAC name of fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium) (CID 178182746) is fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium).
What is the SMILES notation for fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium)?
The canonical SMILES for fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium) is C#CCC[N+](CCCC)(CCCC)CCCC.C#CCC[N+](CCCC)(CCCC)CCCC.O=P([O-])([O-])F.
What is the InChIKey of fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium)?
The InChIKey is IOJKCJZVPLNRLN-UHFFFAOYSA-L. The full InChI is InChI=1S/2C16H32N.FH2O3P/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*1H,6-16H2,2-4H3;(H2,2,3,4)/q2*+1;/p-2.
What are the key properties of fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium)?
fluoro-dioxido-oxo-λ5-phosphane;bis(tributyl(but-3-ynyl)azanium) has a molecular weight of 574.85 g/mol, XLogP of 7.24, 22 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(tributyl(but-3-ynyl)azanium) is sourced from PubChem (CID 178182746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).