bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane

C20H32FN2O3P — CID 141205317

IUPACbis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane
SMILESCCCC[n+]1cccc(C)c1.CCCC[n+]1cccc(C)c1.O=P([O-])([O-])F
InChIInChI=1S/2C10H16N.FH2O3P/c2*1-3-4-7-11-8-5-6-10(2)9-11;1-5(2,3)4/h2*5-6,8-9H,3-4,7H2,1-2H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeySJQAOWBZHIVNPO-UHFFFAOYSA-L
MW398.46 g/mol
LogP2.95
Rot. Bonds6

About bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane

bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane (PubChem CID 141205317) has the molecular formula C20H32FN2O3P and a molecular weight of 398.46 g/mol. Its IUPAC name is bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Namebis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane
PubChem CID141205317
Molecular FormulaC20H32FN2O3P
Molecular Weight398.46 g/mol
Exact Mass398.21
IUPAC Namebis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane
SMILESCCCC[n+]1cccc(C)c1.CCCC[n+]1cccc(C)c1.O=P([O-])([O-])F
InChIInChI=1S/2C10H16N.FH2O3P/c2*1-3-4-7-11-8-5-6-10(2)9-11;1-5(2,3)4/h2*5-6,8-9H,3-4,7H2,1-2H3;(H2,2,3,4)/q2*+1;/p-2
InChIKeySJQAOWBZHIVNPO-UHFFFAOYSA-L
XLogP2.95
TPSA70.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane 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

1-butyl-3-methylpyridin-1-ium chloride
CID 19876500
1-butyl-3-methylpyridin-1-ium;molecular bromine;bromide
CID 25241724
3-methyl-1-nonadecylpyridin-1-ium
CID 69388390
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)
CID 173063522
1-butyl-3-methylpyridin-1-ium;1-butyl-4-methylpyridin-1-ium;diiodide
CID 172850562
butanoate;1-butyl-3-methylpyridin-1-ium
CID 122507043
CID 86295599
CID 86295599
bis(1,1,2,2,2-pentafluoroethylsulfonyl)azanide;1-butyl-3-methylpyridin-1-ium
CID 141236058
3-methyl-1-[11-(3-methylpyridin-1-ium-1-yl)undecyl]pyridin-1-ium diiodide
CID 46890477
1-(3-decylsulfanylpropyl)-3-methylpyridin-1-ium
CID 132574961
1-[2-(2-hexoxyethoxy)ethyl]-3-methylpyridin-1-ium
CID 24781977
CID 162271857
CID 162271857

Frequently Asked Questions

What is the IUPAC name of bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane?
The IUPAC name of bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane (CID 141205317) is bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane?
The canonical SMILES for bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane is CCCC[n+]1cccc(C)c1.CCCC[n+]1cccc(C)c1.O=P([O-])([O-])F.
What is the InChIKey of bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane?
The InChIKey is SJQAOWBZHIVNPO-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H16N.FH2O3P/c2*1-3-4-7-11-8-5-6-10(2)9-11;1-5(2,3)4/h2*5-6,8-9H,3-4,7H2,1-2H3;(H2,2,3,4)/q2*+1;/p-2.
What are the key properties of bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane?
bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane has a molecular weight of 398.46 g/mol, XLogP of 2.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 141205317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).