1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid

C6H23F6N2O18P6+ — CID 173195338

IUPAC1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid
SMILESCCn1cc[n+](C)c1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C6H11N2.6FH2O3P/c1-3-8-5-4-7(2)6-8;6*1-5(2,3)4/h4-6H,3H2,1-2H3;6*(H2,2,3,4)/q+1;;;;;;
InChIKeyHCIYMPUTWHLXJC-UHFFFAOYSA-N
MW711.08 g/mol
LogP0.62
Rot. Bonds1

About 1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid

1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid (PubChem CID 173195338) has the molecular formula C6H23F6N2O18P6+ and a molecular weight of 711.08 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid.

Molecular Properties

Compound Name1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid
PubChem CID173195338
Molecular FormulaC6H23F6N2O18P6+
Molecular Weight711.08 g/mol
Exact Mass710.93
IUPAC Name1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid
SMILESCCn1cc[n+](C)c1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F
InChIInChI=1S/C6H11N2.6FH2O3P/c1-3-8-5-4-7(2)6-8;6*1-5(2,3)4/h4-6H,3H2,1-2H3;6*(H2,2,3,4)/q+1;;;;;;
InChIKeyHCIYMPUTWHLXJC-UHFFFAOYSA-N
XLogP0.62
TPSA353.99 Ų
H-Bond Donors12
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500711.08
LogP ≤ 50.62
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 107

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

1-ethyl-3-methylimidazol-3-ium;trihydroiodide
CID 175038579
1-ethyl-3-methylimidazol-3-ium;trihydroxy(methyl)phosphanium
CID 157370817
CID 87529717
CID 87529717
1-ethyl-3-methylimidazol-3-ium;sulfuric acid;sulfur monoxide
CID 160555581
bis(1-ethyl-3-methylimidazol-3-ium);hydrogen sulfate
CID 140689425
1-ethyl-3-methylimidazol-3-ium;bis(trifluoromethanesulfonamide)
CID 87337810
bis(1-ethyl-3-methylimidazol-3-ium);1-fluoro-N-methyl-N-phosphonatomethanamine
CID 178182737
azane;1-ethyl-3-methylimidazol-3-ium;oxalonitrile
CID 175296554
bis(1-ethyl-3-methylimidazol-3-ium);sulfate
CID 87371593
tris(1-ethyl-3-methylimidazol-3-ium);phosphite
CID 140574396
acetic acid;1-ethyl-3-methylimidazol-3-ium;sulfuric acid
CID 139449922
1-ethyl-3-methylimidazol-3-ium;hydrogen sulfate;sulfur monoxide
CID 160555580

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid?
The IUPAC name of 1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid (CID 173195338) is 1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid.
What is the SMILES notation for 1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid?
The canonical SMILES for 1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid is CCn1cc[n+](C)c1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.
What is the InChIKey of 1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid?
The InChIKey is HCIYMPUTWHLXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2.6FH2O3P/c1-3-8-5-4-7(2)6-8;6*1-5(2,3)4/h4-6H,3H2,1-2H3;6*(H2,2,3,4)/q+1;;;;;;.
What are the key properties of 1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid?
1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid has a molecular weight of 711.08 g/mol, XLogP of 0.62, 1 rotatable bonds, 12 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazol-3-ium;fluorophosphonic acid is sourced from PubChem (CID 173195338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).