1-butyl-2-propylpyrrolidin-1-ium fluoride

C11H24FN — CID 171571217

IUPAC1-butyl-2-propylpyrrolidin-1-ium fluoride
SMILESCCCC[NH+]1CCCC1CCC.[F-]
InChIInChI=1S/C11H23N.FH/c1-3-5-9-12-10-6-8-11(12)7-4-2;/h11H,3-10H2,1-2H3;1H
InChIKeyUKAUQVHZTYXROZ-UHFFFAOYSA-N
MW189.32 g/mol
LogP-1.36
Rot. Bonds5

About 1-butyl-2-propylpyrrolidin-1-ium fluoride

1-butyl-2-propylpyrrolidin-1-ium fluoride (PubChem CID 171571217) has the molecular formula C11H24FN and a molecular weight of 189.32 g/mol. Its IUPAC name is 1-butyl-2-propylpyrrolidin-1-ium fluoride.

Molecular Properties

Compound Name1-butyl-2-propylpyrrolidin-1-ium fluoride
PubChem CID171571217
Molecular FormulaC11H24FN
Molecular Weight189.32 g/mol
Exact Mass189.19
IUPAC Name1-butyl-2-propylpyrrolidin-1-ium fluoride
SMILESCCCC[NH+]1CCCC1CCC.[F-]
InChIInChI=1S/C11H23N.FH/c1-3-5-9-12-10-6-8-11(12)7-4-2;/h11H,3-10H2,1-2H3;1H
InChIKeyUKAUQVHZTYXROZ-UHFFFAOYSA-N
XLogP-1.36
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.32
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-ethylpyrrolidin-1-ium fluoride
CID 171570086
2-butyl-1-heptylpyrrolidin-1-ium fluoride
CID 171570289
1-hexyl-2-propylpiperidin-1-ium chloride
CID 171570151
methanesulfonate;1-pentyl-2-propylpyrrolidin-1-ium
CID 171571169
1-butyl-2-propylpiperidin-1-ium acetate
CID 171570137
2-butyl-1-dodecylpyrrolidin-1-ium chloride
CID 171571110
2-butyl-1-pentylpyrrolidin-1-ium cyanide
CID 171570457
2-butyl-1-dodecylpiperidin-1-ium chloride
CID 171570781
1-octyl-2-propylpyrrolidin-1-ium;trifluoromethanesulfonate
CID 171615814
methanesulfonate;1-octyl-2-propylpiperidin-1-ium
CID 171570241
1-ethyl-2-propylpiperidin-1-ium fluoride
CID 171570809
2-butyl-1-dodecylpiperidin-1-ium cyanide
CID 171571571

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-propylpyrrolidin-1-ium fluoride?
The IUPAC name of 1-butyl-2-propylpyrrolidin-1-ium fluoride (CID 171571217) is 1-butyl-2-propylpyrrolidin-1-ium fluoride.
What is the SMILES notation for 1-butyl-2-propylpyrrolidin-1-ium fluoride?
The canonical SMILES for 1-butyl-2-propylpyrrolidin-1-ium fluoride is CCCC[NH+]1CCCC1CCC.[F-].
What is the InChIKey of 1-butyl-2-propylpyrrolidin-1-ium fluoride?
The InChIKey is UKAUQVHZTYXROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N.FH/c1-3-5-9-12-10-6-8-11(12)7-4-2;/h11H,3-10H2,1-2H3;1H.
What are the key properties of 1-butyl-2-propylpyrrolidin-1-ium fluoride?
1-butyl-2-propylpyrrolidin-1-ium fluoride has a molecular weight of 189.32 g/mol, XLogP of -1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-propylpyrrolidin-1-ium fluoride is sourced from PubChem (CID 171571217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).