1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate

C11H14F12N4P2 — CID 170460029

IUPAC1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate
SMILESC=Cn1cc[n+](C[n+]2ccn(C=C)c2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C11H14N4.2F6P/c1-3-12-5-7-14(9-12)11-15-8-6-13(4-2)10-15;2*1-7(2,3,4,5)6/h3-10H,1-2,11H2;;/q+2;2*-1
InChIKeyVEHILRSYILIPSG-UHFFFAOYSA-N
MW492.19 g/mol
LogP7.34
Rot. Bonds4

About 1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate

1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate (PubChem CID 170460029) has the molecular formula C11H14F12N4P2 and a molecular weight of 492.19 g/mol. Its IUPAC name is 1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate.

Molecular Properties

Compound Name1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate
PubChem CID170460029
Molecular FormulaC11H14F12N4P2
Molecular Weight492.19 g/mol
Exact Mass492.05
IUPAC Name1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate
SMILESC=Cn1cc[n+](C[n+]2ccn(C=C)c2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C11H14N4.2F6P/c1-3-12-5-7-14(9-12)11-15-8-6-13(4-2)10-15;2*1-7(2,3,4,5)6/h3-10H,1-2,11H2;;/q+2;2*-1
InChIKeyVEHILRSYILIPSG-UHFFFAOYSA-N
XLogP7.34
TPSA17.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.19
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate 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 1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate?
The IUPAC name of 1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate (CID 170460029) is 1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate.
What is the SMILES notation for 1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate?
The canonical SMILES for 1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate is C=Cn1cc[n+](C[n+]2ccn(C=C)c2)c1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate?
The InChIKey is VEHILRSYILIPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.2F6P/c1-3-12-5-7-14(9-12)11-15-8-6-13(4-2)10-15;2*1-7(2,3,4,5)6/h3-10H,1-2,11H2;;/q+2;2*-1.
What are the key properties of 1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate?
1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate has a molecular weight of 492.19 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-[(3-ethenylimidazol-1-ium-1-yl)methyl]imidazol-3-ium dihexafluorophosphate is sourced from PubChem (CID 170460029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).