1-ethyl-3-methylimidazol-3-ium hexafluorophosphate

C6H11F6N2P — CID 2758873

IUPAC1-ethyl-3-methylimidazol-3-ium hexafluorophosphate
SMILESCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C6H11N2.F6P/c1-3-8-5-4-7(2)6-8;1-7(2,3,4,5)6/h4-6H,3H2,1-2H3;/q+1;-1
InChIKeyDPDAKOVGQUGTHH-UHFFFAOYSA-N
MW256.13 g/mol
LogP3.71
Rot. Bonds1

About 1-ethyl-3-methylimidazol-3-ium hexafluorophosphate

1-ethyl-3-methylimidazol-3-ium hexafluorophosphate (PubChem CID 2758873) has the molecular formula C6H11F6N2P and a molecular weight of 256.13 g/mol. Its IUPAC name is 1-ethyl-3-methylimidazol-3-ium hexafluorophosphate.

Molecular Properties

Compound Name1-ethyl-3-methylimidazol-3-ium hexafluorophosphate
PubChem CID2758873
Molecular FormulaC6H11F6N2P
Molecular Weight256.13 g/mol
Exact Mass256.06
IUPAC Name1-ethyl-3-methylimidazol-3-ium hexafluorophosphate
SMILESCCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C6H11N2.F6P/c1-3-8-5-4-7(2)6-8;1-7(2,3,4,5)6/h4-6H,3H2,1-2H3;/q+1;-1
InChIKeyDPDAKOVGQUGTHH-UHFFFAOYSA-N
XLogP3.71
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.13
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-Methylimidazole
CID 1390
Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Vinylimidazole
CID 66171
1-Ethyl-3-methylimidazolium chloride
CID 2734160
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1-Methyl-3-octylimidazolium hexafluorophosphate
CID 2734243
1-Pentyl-1H-imidazole
CID 529334
1-Butyl-3-methylimidazolium chloride
CID 2734161
1-Ethyl-3-methylimidazolium tetrafluoroborate
CID 2769348
1-Methyl-3-octadecylimidazolium hexafluorophosphate
CID 24944555
n-Propylimidazole
CID 118785

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methylimidazol-3-ium hexafluorophosphate?
The IUPAC name of 1-ethyl-3-methylimidazol-3-ium hexafluorophosphate (CID 2758873) is 1-ethyl-3-methylimidazol-3-ium hexafluorophosphate.
What is the SMILES notation for 1-ethyl-3-methylimidazol-3-ium hexafluorophosphate?
The canonical SMILES for 1-ethyl-3-methylimidazol-3-ium hexafluorophosphate is CCn1cc[n+](C)c1.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 1-ethyl-3-methylimidazol-3-ium hexafluorophosphate?
The InChIKey is DPDAKOVGQUGTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N2.F6P/c1-3-8-5-4-7(2)6-8;1-7(2,3,4,5)6/h4-6H,3H2,1-2H3;/q+1;-1.
What are the key properties of 1-ethyl-3-methylimidazol-3-ium hexafluorophosphate?
1-ethyl-3-methylimidazol-3-ium hexafluorophosphate has a molecular weight of 256.13 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methylimidazol-3-ium hexafluorophosphate is sourced from PubChem (CID 2758873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).