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

C10H18FN — CID 171615941

IUPAC1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride
SMILESCCCC[NH+]1C=CC(CC)=C1.[F-]
InChIInChI=1S/C10H17N.FH/c1-3-5-7-11-8-6-10(4-2)9-11;/h6,8-9H,3-5,7H2,1-2H3;1H
InChIKeyYCPHLKQXZSIXKY-UHFFFAOYSA-N
MW171.26 g/mol
LogP-1.50
Rot. Bonds4

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

1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride (PubChem CID 171615941) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride.

Molecular Properties

Compound Name1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride
PubChem CID171615941
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride
SMILESCCCC[NH+]1C=CC(CC)=C1.[F-]
InChIInChI=1S/C10H17N.FH/c1-3-5-7-11-8-6-10(4-2)9-11;/h6,8-9H,3-5,7H2,1-2H3;1H
InChIKeyYCPHLKQXZSIXKY-UHFFFAOYSA-N
XLogP-1.50
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-3-ethyl-1H-pyrrol-1-ium cyanide
CID 171615738
1-decyl-3-ethyl-1H-pyrrol-1-ium;methanesulfonate
CID 171616171
1-pentyl-3-propyl-1H-pyrrol-1-ium fluoride
CID 171616047
3-butyl-1-propyl-1H-pyrrol-1-ium fluoride
CID 171615491
1-pentyl-3-propyl-1H-pyrrol-1-ium chloride
CID 171615850
1-nonyl-3-propyl-1H-pyrrol-1-ium chloride
CID 171615281
3-ethyl-1-propyl-1H-pyrrol-1-ium;methanesulfonate
CID 171615973
3-butyl-1-octyl-1H-pyrrol-1-ium;methanesulfonate
CID 171615359
3-ethyl-1-methyl-1H-pyrrol-1-ium fluoride
CID 171616027
1-octyl-3-propyl-1H-pyrrol-1-ium acetate
CID 171615725
1-butyl-3-methyl-1H-pyrrol-1-ium;trifluoromethanesulfonate
CID 171616159
3-butyl-1-propyl-1H-pyrrol-1-ium;trifluoromethanesulfonate
CID 171615945

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride?
The IUPAC name of 1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride (CID 171615941) is 1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride.
What is the SMILES notation for 1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride?
The canonical SMILES for 1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride is CCCC[NH+]1C=CC(CC)=C1.[F-].
What is the InChIKey of 1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride?
The InChIKey is YCPHLKQXZSIXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.FH/c1-3-5-7-11-8-6-10(4-2)9-11;/h6,8-9H,3-5,7H2,1-2H3;1H.
What are the key properties of 1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride?
1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride has a molecular weight of 171.26 g/mol, XLogP of -1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-ethyl-1H-pyrrol-1-ium fluoride is sourced from PubChem (CID 171615941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).