2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate

C5H10F7N2P — CID 10945225

IUPAC2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate
SMILESCN1CC[N+](C)=C1F.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C5H10FN2.F6P/c1-7-3-4-8(2)5(7)6;1-7(2,3,4,5)6/h3-4H2,1-2H3;/q+1;-1
InChIKeyHZQRHQLFHYEODY-UHFFFAOYSA-N
MW262.11 g/mol
LogP3.28
Rot. Bonds

About 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate

2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate (PubChem CID 10945225) has the molecular formula C5H10F7N2P and a molecular weight of 262.11 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate.

Molecular Properties

Compound Name2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate
PubChem CID10945225
Molecular FormulaC5H10F7N2P
Molecular Weight262.11 g/mol
Exact Mass262.05
IUPAC Name2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate
SMILESCN1CC[N+](C)=C1F.F[P-](F)(F)(F)(F)F
InChIInChI=1S/C5H10FN2.F6P/c1-7-3-4-8(2)5(7)6;1-7(2,3,4,5)6/h3-4H2,1-2H3;/q+1;-1
InChIKeyHZQRHQLFHYEODY-UHFFFAOYSA-N
XLogP3.28
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.11
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate?
The IUPAC name of 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate (CID 10945225) is 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate.
What is the SMILES notation for 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate?
The canonical SMILES for 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate is CN1CC[N+](C)=C1F.F[P-](F)(F)(F)(F)F.
What is the InChIKey of 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate?
The InChIKey is HZQRHQLFHYEODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FN2.F6P/c1-7-3-4-8(2)5(7)6;1-7(2,3,4,5)6/h3-4H2,1-2H3;/q+1;-1.
What are the key properties of 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate?
2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate has a molecular weight of 262.11 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium hexafluorophosphate is sourced from PubChem (CID 10945225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).