2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium

C11H20FN2+ — CID 155932247

IUPAC2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium
SMILESCc1c(C)[n+](C(C)C)c(F)n1C(C)C
InChIInChI=1S/C11H20FN2/c1-7(2)13-9(5)10(6)14(8(3)4)11(13)12/h7-8H,1-6H3/q+1
InChIKeySYXUMUWKRYUFHN-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.69
Rot. Bonds2

About 2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium

2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium (PubChem CID 155932247) has the molecular formula C11H20FN2+ and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium.

Molecular Properties

Compound Name2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium
PubChem CID155932247
Molecular FormulaC11H20FN2+
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium
SMILESCc1c(C)[n+](C(C)C)c(F)n1C(C)C
InChIInChI=1S/C11H20FN2/c1-7(2)13-9(5)10(6)14(8(3)4)11(13)12/h7-8H,1-6H3/q+1
InChIKeySYXUMUWKRYUFHN-UHFFFAOYSA-N
XLogP2.69
TPSA8.81 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium?
The IUPAC name of 2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium (CID 155932247) is 2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium.
What is the SMILES notation for 2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium?
The canonical SMILES for 2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium is Cc1c(C)[n+](C(C)C)c(F)n1C(C)C.
What is the InChIKey of 2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium?
The InChIKey is SYXUMUWKRYUFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN2/c1-7(2)13-9(5)10(6)14(8(3)4)11(13)12/h7-8H,1-6H3/q+1.
What are the key properties of 2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium?
2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium has a molecular weight of 199.29 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4,5-dimethyl-1,3-di(propan-2-yl)imidazol-1-ium is sourced from PubChem (CID 155932247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).