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

C13H26FN2+ — CID 22002623

IUPAC2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium
SMILESCCCCCN1CC[N+](CCCCC)=C1F
InChIInChI=1S/C13H26FN2/c1-3-5-7-9-15-11-12-16(13(15)14)10-8-6-4-2/h3-12H2,1-2H3/q+1
InChIKeyNLMQTNUEFXPIKI-UHFFFAOYSA-N
MW229.36 g/mol
LogP3.02
Rot. Bonds8

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

2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium (PubChem CID 22002623) has the molecular formula C13H26FN2+ and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium
PubChem CID22002623
Molecular FormulaC13H26FN2+
Molecular Weight229.36 g/mol
Exact Mass229.21
IUPAC Name2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium
SMILESCCCCCN1CC[N+](CCCCC)=C1F
InChIInChI=1S/C13H26FN2/c1-3-5-7-9-15-11-12-16(13(15)14)10-8-6-4-2/h3-12H2,1-2H3/q+1
InChIKeyNLMQTNUEFXPIKI-UHFFFAOYSA-N
XLogP3.02
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[Fluoro(piperidin-1-yl)methylidene]-dimethylazanium
CID 138974595
N-ethyl-N-[fluoro(piperidin-1-ium-1-ylidene)methyl]ethanamine
CID 138974986
Dodecylimidazoline
CID 239364
1-Butyl-3-methyl-4,5-dihydroimidazol-3-ium
CID 9794013
Octylimidazoline
CID 17929574
Decylimidazoline
CID 19978950
Nonylimidazoline
CID 23345662
1,3-Dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium
CID 22002617
2-Fluoro-1,3-dihexyl-4,5-dihydroimidazol-1-ium
CID 22002619
2-Fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium
CID 22002625
1-(9-Fluorononyl)-4,5-dihydroimidazole
CID 141317562
Azane;ethane;2,4,4,5,5-pentafluoro-1-hexylimidazole
CID 174765739

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium (CID 22002623) is 2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium is CCCCCN1CC[N+](CCCCC)=C1F.
What is the InChIKey of 2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium?
The InChIKey is NLMQTNUEFXPIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN2/c1-3-5-7-9-15-11-12-16(13(15)14)10-8-6-4-2/h3-12H2,1-2H3/q+1.
What are the key properties of 2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium?
2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium has a molecular weight of 229.36 g/mol, XLogP of 3.02, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dipentyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 22002623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).