1-methyl-3-propylimidazol-1-ium;hydrofluoride

C7H14FN2+ — CID 175047022

IUPAC1-methyl-3-propylimidazol-1-ium;hydrofluoride
SMILESCCCn1cc[n+](C)c1.F
InChIInChI=1S/C7H13N2.FH/c1-3-4-9-6-5-8(2)7-9;/h5-7H,3-4H2,1-2H3;1H/q+1;
InChIKeyCNJUKOWOMAWWKK-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.88
Rot. Bonds2

About 1-methyl-3-propylimidazol-1-ium;hydrofluoride

1-methyl-3-propylimidazol-1-ium;hydrofluoride (PubChem CID 175047022) has the molecular formula C7H14FN2+ and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-methyl-3-propylimidazol-1-ium;hydrofluoride.

Molecular Properties

Compound Name1-methyl-3-propylimidazol-1-ium;hydrofluoride
PubChem CID175047022
Molecular FormulaC7H14FN2+
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-methyl-3-propylimidazol-1-ium;hydrofluoride
SMILESCCCn1cc[n+](C)c1.F
InChIInChI=1S/C7H13N2.FH/c1-3-4-9-6-5-8(2)7-9;/h5-7H,3-4H2,1-2H3;1H/q+1;
InChIKeyCNJUKOWOMAWWKK-UHFFFAOYSA-N
XLogP0.88
TPSA8.81 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 ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-propylimidazol-1-ium iodide
CID 12971008
1-butyl-3-methylimidazol-3-ium;tetrahydrate
CID 175081123
1-methyl-3-pentylimidazol-1-ium iodide
CID 11403236
1-methyl-3-propylimidazol-1-ium;oxalic acid;acetate
CID 175511800
1-icosyl-3-methylimidazol-3-ium bromide
CID 141143655
1-butyl-3-methylimidazol-3-ium;chloroplatinum
CID 175008486
1-heptyl-3-methylimidazol-3-ium chloride
CID 87431779
1-butyl-3-methylimidazol-3-ium;molecular bromine;bromide
CID 11245926
1-methyl-3-nonadecylimidazol-1-ium chloride
CID 10452646
1-decyl-3-methylimidazol-3-ium hydroxide
CID 162364634
1-dotetracontyl-3-methylimidazol-3-ium chloride
CID 141281431
1-butyl-3-methylimidazolium hexachlorophosphate
CID 139239305

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propylimidazol-1-ium;hydrofluoride?
The IUPAC name of 1-methyl-3-propylimidazol-1-ium;hydrofluoride (CID 175047022) is 1-methyl-3-propylimidazol-1-ium;hydrofluoride.
What is the SMILES notation for 1-methyl-3-propylimidazol-1-ium;hydrofluoride?
The canonical SMILES for 1-methyl-3-propylimidazol-1-ium;hydrofluoride is CCCn1cc[n+](C)c1.F.
What is the InChIKey of 1-methyl-3-propylimidazol-1-ium;hydrofluoride?
The InChIKey is CNJUKOWOMAWWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N2.FH/c1-3-4-9-6-5-8(2)7-9;/h5-7H,3-4H2,1-2H3;1H/q+1;.
What are the key properties of 1-methyl-3-propylimidazol-1-ium;hydrofluoride?
1-methyl-3-propylimidazol-1-ium;hydrofluoride has a molecular weight of 145.20 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propylimidazol-1-ium;hydrofluoride is sourced from PubChem (CID 175047022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).