1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate

C8H16FN2O4P — CID 173257218

IUPAC1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate
SMILESCCCCn1cc[n+](C)c1.O=P([O-])(O)OF
InChIInChI=1S/C8H15N2.FH2O4P/c1-3-4-5-10-7-6-9(2)8-10;1-5-6(2,3)4/h6-8H,3-5H2,1-2H3;(H2,2,3,4)/q+1;/p-1
InChIKeyHQJYIJKSSPCEIM-UHFFFAOYSA-M
MW254.20 g/mol
LogP0.46
Rot. Bonds4

About 1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate

1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate (PubChem CID 173257218) has the molecular formula C8H16FN2O4P and a molecular weight of 254.20 g/mol. Its IUPAC name is 1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate.

Molecular Properties

Compound Name1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate
PubChem CID173257218
Molecular FormulaC8H16FN2O4P
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Name1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate
SMILESCCCCn1cc[n+](C)c1.O=P([O-])(O)OF
InChIInChI=1S/C8H15N2.FH2O4P/c1-3-4-5-10-7-6-9(2)8-10;1-5-6(2,3)4/h6-8H,3-5H2,1-2H3;(H2,2,3,4)/q+1;/p-1
InChIKeyHQJYIJKSSPCEIM-UHFFFAOYSA-M
XLogP0.46
TPSA78.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

docosakis(1-butyl-3-methylimidazol-3-ium);undecakis(fluoro-dioxido-oxo-λ5-phosphane)
CID 142702508
hexakis(fluoro-dioxido-oxo-λ5-phosphane);dodecakis(1-methyl-3-pentylimidazol-1-ium)
CID 173063535
1-butyl-3-methylimidazol-3-ium;trimethyl phosphate
CID 175119009
bis(1,1,2,2,2-pentafluoroethyl)phosphinate;1-butyl-3-methylimidazol-3-ium
CID 18451606
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
dimethyl phosphate;1-hexadecyl-3-methylimidazol-3-ium
CID 86677011
dipropyl phosphate;1-methyl-3-pentylimidazol-1-ium
CID 89414213
1-butyl-3-methylimidazol-3-ium;ethanol;hexafluorophosphate
CID 175105794
1-butyl-3-methylimidazol-3-ium;dihydrogen phosphite
CID 87096076
1-butyl-3-methylimidazol-3-ium;palladium(2+);diacetate;hexafluorophosphate
CID 51051367
dipropyl phosphate;1-methyl-3-octylimidazol-1-ium
CID 89414402
bis(1-butyl-3-methylimidazol-3-ium);methoxymethane;sulfate
CID 175434086

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate?
The IUPAC name of 1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate (CID 173257218) is 1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate.
What is the SMILES notation for 1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate?
The canonical SMILES for 1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate is CCCCn1cc[n+](C)c1.O=P([O-])(O)OF.
What is the InChIKey of 1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate?
The InChIKey is HQJYIJKSSPCEIM-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H15N2.FH2O4P/c1-3-4-5-10-7-6-9(2)8-10;1-5-6(2,3)4/h6-8H,3-5H2,1-2H3;(H2,2,3,4)/q+1;/p-1.
What are the key properties of 1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate?
1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate has a molecular weight of 254.20 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-methylimidazol-3-ium;fluoro hydrogen phosphate is sourced from PubChem (CID 173257218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).