fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium)

C20H38FN4O3P — CID 157305144

IUPACfluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium)
SMILESCCCCCC[n+]1cc[nH]c1C.CCCCCC[n+]1cc[nH]c1C.O=P([O-])([O-])F
InChIInChI=1S/2C10H18N2.FH2O3P/c2*1-3-4-5-6-8-12-9-7-11-10(12)2;1-5(2,3)4/h2*7,9H,3-6,8H2,1-2H3;(H2,2,3,4)
InChIKeyBCJLGBDQJNKBOV-UHFFFAOYSA-N
MW432.52 g/mol
LogP3.17
Rot. Bonds10

About fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium)

fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium) (PubChem CID 157305144) has the molecular formula C20H38FN4O3P and a molecular weight of 432.52 g/mol. Its IUPAC name is fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium).

Molecular Properties

Compound Namefluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium)
PubChem CID157305144
Molecular FormulaC20H38FN4O3P
Molecular Weight432.52 g/mol
Exact Mass432.27
IUPAC Namefluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium)
SMILESCCCCCC[n+]1cc[nH]c1C.CCCCCC[n+]1cc[nH]c1C.O=P([O-])([O-])F
InChIInChI=1S/2C10H18N2.FH2O3P/c2*1-3-4-5-6-8-12-9-7-11-10(12)2;1-5(2,3)4/h2*7,9H,3-6,8H2,1-2H3;(H2,2,3,4)
InChIKeyBCJLGBDQJNKBOV-UHFFFAOYSA-N
XLogP3.17
TPSA102.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 53.17
H-Bond Donors ≤ 52
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_1', 'substructure': 'N/A'}

Analyze fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium) with MolForge

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Related Compounds

bis(3-dodecyl-2-methyl-1H-imidazol-3-ium) dibromide
CID 67713981
3-hexyl-2-methyl-1H-imidazol-3-ium;trifluoromethanesulfonate
CID 171905299
butanoate;3-butyl-2-methyl-1H-imidazol-3-ium
CID 141354861
methanesulfonate;2-methyl-3-propyl-1H-imidazol-3-ium
CID 118062745
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(4-methyl-1-pentylpyridin-1-ium)
CID 173063522
3-octyl-2-(2,2,2-trifluoroethyl)-1H-imidazol-3-ium
CID 69095147
2-heptadecyl-3-octadecyl-1H-imidazol-3-ium
CID 137364034
trimethoxy-[3-(2-methyl-1H-imidazol-3-ium-3-yl)propyl]silane chloride
CID 141276789
3-(3-hexyl-1H-imidazol-3-ium-2-yl)propan-1-amine
CID 165177868
3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]tridecan-2-ol
CID 91217998
bis(1-butyl-3-methylpyridin-1-ium);fluoro-dioxido-oxo-λ5-phosphane
CID 141205317
2-(4-bromophenyl)-3-heptyl-1H-imidazol-3-ium
CID 68631413

Frequently Asked Questions

What is the IUPAC name of fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium)?
The IUPAC name of fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium) (CID 157305144) is fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium).
What is the SMILES notation for fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium)?
The canonical SMILES for fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium) is CCCCCC[n+]1cc[nH]c1C.CCCCCC[n+]1cc[nH]c1C.O=P([O-])([O-])F.
What is the InChIKey of fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium)?
The InChIKey is BCJLGBDQJNKBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H18N2.FH2O3P/c2*1-3-4-5-6-8-12-9-7-11-10(12)2;1-5(2,3)4/h2*7,9H,3-6,8H2,1-2H3;(H2,2,3,4).
What are the key properties of fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium)?
fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium) has a molecular weight of 432.52 g/mol, XLogP of 3.17, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro-dioxido-oxo-λ5-phosphane;bis(3-hexyl-2-methyl-1H-imidazol-3-ium) is sourced from PubChem (CID 157305144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).