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

C11H22FN2+ — CID 22002617

IUPAC1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium
SMILESCCCCN1CC[N+](CCCC)=C1F
InChIInChI=1S/C11H22FN2/c1-3-5-7-13-9-10-14(11(13)12)8-6-4-2/h3-10H2,1-2H3/q+1
InChIKeyRQYGAPBKOWDHFW-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.24
Rot. Bonds6

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

1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium (PubChem CID 22002617) has the molecular formula C11H22FN2+ and a molecular weight of 201.31 g/mol. Its IUPAC name is 1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium
PubChem CID22002617
Molecular FormulaC11H22FN2+
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium
SMILESCCCCN1CC[N+](CCCC)=C1F
InChIInChI=1S/C11H22FN2/c1-3-5-7-13-9-10-14(11(13)12)8-6-4-2/h3-10H2,1-2H3/q+1
InChIKeyRQYGAPBKOWDHFW-UHFFFAOYSA-N
XLogP2.24
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.24
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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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium?
The IUPAC name of 1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium (CID 22002617) is 1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium is CCCCN1CC[N+](CCCC)=C1F.
What is the InChIKey of 1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium?
The InChIKey is RQYGAPBKOWDHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FN2/c1-3-5-7-13-9-10-14(11(13)12)8-6-4-2/h3-10H2,1-2H3/q+1.
What are the key properties of 1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium?
1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium has a molecular weight of 201.31 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-2-fluoro-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 22002617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).