1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium

C7H14FN2+ — CID 22002629

IUPAC1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium
SMILESCCN1CC[N+](CC)=C1F
InChIInChI=1S/C7H14FN2/c1-3-9-5-6-10(4-2)7(9)8/h3-6H2,1-2H3/q+1
InChIKeyLZUGVBJKRODQNJ-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.68
Rot. Bonds2

About 1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium

1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium (PubChem CID 22002629) has the molecular formula C7H14FN2+ and a molecular weight of 145.20 g/mol. Its IUPAC name is 1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium
PubChem CID22002629
Molecular FormulaC7H14FN2+
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium
SMILESCCN1CC[N+](CC)=C1F
InChIInChI=1S/C7H14FN2/c1-3-9-5-6-10(4-2)7(9)8/h3-6H2,1-2H3/q+1
InChIKeyLZUGVBJKRODQNJ-UHFFFAOYSA-N
XLogP0.68
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Fluoro-1,3-dimethylimidazolidinium hexafluorophosphate
CID 10945225
2-Fluoro-1,3-dimethyl-4,5-dihydroimidazol-1-ium
CID 2779127
Ethyl imidazoline
CID 485092
1H-Imidazole, 4,5-dihydro-1-methyl-
CID 3744783
1,3-Dimethyl-4,5-dihydroimidazol-1-ium
CID 20238538
1,1-Dimethyl-4,5-dihydroimidazol-1-ium
CID 21977283
1,3-Dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium
CID 22002617
2-Fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium
CID 22002625
1-Ethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole
CID 72206992
1-Methyl-2-trifluoromethylimidazoline
CID 72206993
1-(Fluoromethyl)-4,5-dihydroimidazole
CID 141167078
1-(2-Fluoroethyl)-4,5-dimethyl-4,5-dihydroimidazole
CID 155110830

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium (CID 22002629) is 1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium is CCN1CC[N+](CC)=C1F.
What is the InChIKey of 1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium?
The InChIKey is LZUGVBJKRODQNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FN2/c1-3-9-5-6-10(4-2)7(9)8/h3-6H2,1-2H3/q+1.
What are the key properties of 1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium?
1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium has a molecular weight of 145.20 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-fluoro-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 22002629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).