fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium)

C22H44FN2O3P — CID 178182701

IUPACfluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium)
SMILESC#CCCC[N+](CC)(CC)CC.C#CCCC[N+](CC)(CC)CC.O=P([O-])([O-])F
InChIInChI=1S/2C11H22N.FH2O3P/c2*1-5-9-10-11-12(6-2,7-3)8-4;1-5(2,3)4/h2*1H,6-11H2,2-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyNNOMTPLSEYKRNH-UHFFFAOYSA-L
MW434.58 g/mol
LogP3.34
Rot. Bonds12

About fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium)

fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium) (PubChem CID 178182701) has the molecular formula C22H44FN2O3P and a molecular weight of 434.58 g/mol. Its IUPAC name is fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium).

Molecular Properties

Compound Namefluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium)
PubChem CID178182701
Molecular FormulaC22H44FN2O3P
Molecular Weight434.58 g/mol
Exact Mass434.31
IUPAC Namefluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium)
SMILESC#CCCC[N+](CC)(CC)CC.C#CCCC[N+](CC)(CC)CC.O=P([O-])([O-])F
InChIInChI=1S/2C11H22N.FH2O3P/c2*1-5-9-10-11-12(6-2,7-3)8-4;1-5(2,3)4/h2*1H,6-11H2,2-4H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeyNNOMTPLSEYKRNH-UHFFFAOYSA-L
XLogP3.34
TPSA63.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium) with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium)?
The IUPAC name of fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium) (CID 178182701) is fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium).
What is the SMILES notation for fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium)?
The canonical SMILES for fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium) is C#CCCC[N+](CC)(CC)CC.C#CCCC[N+](CC)(CC)CC.O=P([O-])([O-])F.
What is the InChIKey of fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium)?
The InChIKey is NNOMTPLSEYKRNH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C11H22N.FH2O3P/c2*1-5-9-10-11-12(6-2,7-3)8-4;1-5(2,3)4/h2*1H,6-11H2,2-4H3;(H2,2,3,4)/q2*+1;/p-2.
What are the key properties of fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium)?
fluoro-dioxido-oxo-λ5-phosphane;bis(triethyl(pent-4-ynyl)azanium) has a molecular weight of 434.58 g/mol, XLogP of 3.34, 12 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(pent-4-ynyl)azanium) is sourced from PubChem (CID 178182701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).