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

C9H18FN2+ — CID 22002625

IUPAC2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium
SMILESCCCN1CC[N+](CCC)=C1F
InChIInChI=1S/C9H18FN2/c1-3-5-11-7-8-12(6-4-2)9(11)10/h3-8H2,1-2H3/q+1
InChIKeyGMXZRYLTWGGLOE-UHFFFAOYSA-N
MW173.25 g/mol
LogP1.46
Rot. Bonds4

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

2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium (PubChem CID 22002625) has the molecular formula C9H18FN2+ and a molecular weight of 173.25 g/mol. Its IUPAC name is 2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium.

Molecular Properties

Compound Name2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium
PubChem CID22002625
Molecular FormulaC9H18FN2+
Molecular Weight173.25 g/mol
Exact Mass173.14
IUPAC Name2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium
SMILESCCCN1CC[N+](CCC)=C1F
InChIInChI=1S/C9H18FN2/c1-3-5-11-7-8-12(6-4-2)9(11)10/h3-8H2,1-2H3/q+1
InChIKeyGMXZRYLTWGGLOE-UHFFFAOYSA-N
XLogP1.46
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.25
LogP ≤ 51.46
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 2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium?
The IUPAC name of 2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium (CID 22002625) is 2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium.
What is the SMILES notation for 2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium?
The canonical SMILES for 2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium is CCCN1CC[N+](CCC)=C1F.
What is the InChIKey of 2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium?
The InChIKey is GMXZRYLTWGGLOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18FN2/c1-3-5-11-7-8-12(6-4-2)9(11)10/h3-8H2,1-2H3/q+1.
What are the key properties of 2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium?
2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium has a molecular weight of 173.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dipropyl-4,5-dihydroimidazol-1-ium is sourced from PubChem (CID 22002625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).