1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride

C7H15FN2 — CID 71385706

IUPAC1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride
SMILESCC[NH+]1C=CN(C)C1C.[F-]
InChIInChI=1S/C7H14N2.FH/c1-4-9-6-5-8(3)7(9)2;/h5-7H,4H2,1-3H3;1H
InChIKeyDOCXNZGOHDMTSM-UHFFFAOYSA-N
MW146.21 g/mol
LogP-3.34
Rot. Bonds1

About 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride

1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride (PubChem CID 71385706) has the molecular formula C7H15FN2 and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride.

Molecular Properties

Compound Name1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride
PubChem CID71385706
Molecular FormulaC7H15FN2
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride
SMILESCC[NH+]1C=CN(C)C1C.[F-]
InChIInChI=1S/C7H14N2.FH/c1-4-9-6-5-8(3)7(9)2;/h5-7H,4H2,1-3H3;1H
InChIKeyDOCXNZGOHDMTSM-UHFFFAOYSA-N
XLogP-3.34
TPSA7.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-3.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride?
The IUPAC name of 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride (CID 71385706) is 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride.
What is the SMILES notation for 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride?
The canonical SMILES for 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride is CC[NH+]1C=CN(C)C1C.[F-].
What is the InChIKey of 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride?
The InChIKey is DOCXNZGOHDMTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.FH/c1-4-9-6-5-8(3)7(9)2;/h5-7H,4H2,1-3H3;1H.
What are the key properties of 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride?
1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride has a molecular weight of 146.21 g/mol, XLogP of -3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2,3-dimethyl-1,2-dihydroimidazol-1-ium fluoride is sourced from PubChem (CID 71385706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).