3-butyl-1-propyl-1H-pyrrol-1-ium fluoride

C11H20FN — CID 171615491

IUPAC3-butyl-1-propyl-1H-pyrrol-1-ium fluoride
SMILESCCCCC1=C[NH+](CCC)C=C1.[F-]
InChIInChI=1S/C11H19N.FH/c1-3-5-6-11-7-9-12(10-11)8-4-2;/h7,9-10H,3-6,8H2,1-2H3;1H
InChIKeyWGSPZVZNGUCHGE-UHFFFAOYSA-N
MW185.29 g/mol
LogP-1.11
Rot. Bonds5

About 3-butyl-1-propyl-1H-pyrrol-1-ium fluoride

3-butyl-1-propyl-1H-pyrrol-1-ium fluoride (PubChem CID 171615491) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 3-butyl-1-propyl-1H-pyrrol-1-ium fluoride.

Molecular Properties

Compound Name3-butyl-1-propyl-1H-pyrrol-1-ium fluoride
PubChem CID171615491
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name3-butyl-1-propyl-1H-pyrrol-1-ium fluoride
SMILESCCCCC1=C[NH+](CCC)C=C1.[F-]
InChIInChI=1S/C11H19N.FH/c1-3-5-6-11-7-9-12(10-11)8-4-2;/h7,9-10H,3-6,8H2,1-2H3;1H
InChIKeyWGSPZVZNGUCHGE-UHFFFAOYSA-N
XLogP-1.11
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 5-1.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-pentyl-3-propyl-1H-pyrrol-1-ium fluoride
CID 171616047
3-butyl-1-propyl-1H-pyrrol-1-ium;trifluoromethanesulfonate
CID 171615945
1-pentyl-3-propyl-1H-pyrrol-1-ium chloride
CID 171615850
3-butyl-1-octyl-1H-pyrrol-1-ium;methanesulfonate
CID 171615359
1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride
CID 171615941
1-nonyl-3-propyl-1H-pyrrol-1-ium chloride
CID 171615281
1,3-dipropyl-1H-pyrrol-1-ium acetate
CID 171616059
1-butyl-3-ethyl-1H-pyrrol-1-ium cyanide
CID 171615738
1-octyl-3-propyl-1H-pyrrol-1-ium acetate
CID 171615725
3-ethyl-1-propyl-1H-pyrrol-1-ium;methanesulfonate
CID 171615973
1-ethyl-3-propyl-1H-pyrrol-1-ium chloride
CID 171616063
1-methyl-3-octadecyl-1H-pyrrol-1-ium bromide
CID 135368716

Frequently Asked Questions

What is the IUPAC name of 3-butyl-1-propyl-1H-pyrrol-1-ium fluoride?
The IUPAC name of 3-butyl-1-propyl-1H-pyrrol-1-ium fluoride (CID 171615491) is 3-butyl-1-propyl-1H-pyrrol-1-ium fluoride.
What is the SMILES notation for 3-butyl-1-propyl-1H-pyrrol-1-ium fluoride?
The canonical SMILES for 3-butyl-1-propyl-1H-pyrrol-1-ium fluoride is CCCCC1=C[NH+](CCC)C=C1.[F-].
What is the InChIKey of 3-butyl-1-propyl-1H-pyrrol-1-ium fluoride?
The InChIKey is WGSPZVZNGUCHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.FH/c1-3-5-6-11-7-9-12(10-11)8-4-2;/h7,9-10H,3-6,8H2,1-2H3;1H.
What are the key properties of 3-butyl-1-propyl-1H-pyrrol-1-ium fluoride?
3-butyl-1-propyl-1H-pyrrol-1-ium fluoride has a molecular weight of 185.29 g/mol, XLogP of -1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-propyl-1H-pyrrol-1-ium fluoride is sourced from PubChem (CID 171615491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).