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

C5H10FIN2 — CID 2779131

IUPAC2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide
SMILESCN1CC[N+](C)=C1F.[I-]
InChIInChI=1S/C5H10FN2.HI/c1-7-3-4-8(2)5(7)6;/h3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyQFMLMQJOVUROPV-UHFFFAOYSA-M
MW244.05 g/mol
LogP-3.10
Rot. Bonds

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

2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide (PubChem CID 2779131) has the molecular formula C5H10FIN2 and a molecular weight of 244.05 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide.

Molecular Properties

Compound Name2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide
PubChem CID2779131
Molecular FormulaC5H10FIN2
Molecular Weight244.05 g/mol
Exact Mass243.99
IUPAC Name2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide
SMILESCN1CC[N+](C)=C1F.[I-]
InChIInChI=1S/C5H10FN2.HI/c1-7-3-4-8(2)5(7)6;/h3-4H2,1-2H3;1H/q+1;/p-1
InChIKeyQFMLMQJOVUROPV-UHFFFAOYSA-M
XLogP-3.10
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.05
LogP ≤ 5-3.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', '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 iodide?
The IUPAC name of 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide (CID 2779131) is 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide.
What is the SMILES notation for 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide?
The canonical SMILES for 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide is CN1CC[N+](C)=C1F.[I-].
What is the InChIKey of 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide?
The InChIKey is QFMLMQJOVUROPV-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H10FN2.HI/c1-7-3-4-8(2)5(7)6;/h3-4H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide?
2-fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium iodide has a molecular weight of 244.05 g/mol, XLogP of -3.10, 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 iodide is sourced from PubChem (CID 2779131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).