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

C10H18FN — CID 171615306

IUPAC2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride
SMILESCCCCC1=CC=C[NH+]1CC.[F-]
InChIInChI=1S/C10H17N.FH/c1-3-5-7-10-8-6-9-11(10)4-2;/h6,8-9H,3-5,7H2,1-2H3;1H
InChIKeyKYPBFIQWSXEFTF-UHFFFAOYSA-N
MW171.26 g/mol
LogP-1.50
Rot. Bonds4

About 2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride

2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride (PubChem CID 171615306) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride.

Molecular Properties

Compound Name2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride
PubChem CID171615306
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride
SMILESCCCCC1=CC=C[NH+]1CC.[F-]
InChIInChI=1S/C10H17N.FH/c1-3-5-7-10-8-6-9-11(10)4-2;/h6,8-9H,3-5,7H2,1-2H3;1H
InChIKeyKYPBFIQWSXEFTF-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

2-butyl-1-pentyl-1H-pyrrol-1-ium cyanide
CID 171616055
1-heptyl-2-propyl-1H-pyrrol-1-ium fluoride
CID 171616133
2-propyl-1-undecyl-1H-pyrrol-1-ium chloride
CID 171615349
1-dodecyl-2-propyl-1H-pyrrol-1-ium cyanide
CID 171615498
2-butyl-1-dodecyl-1H-pyrrol-1-ium;trifluoromethanesulfonate
CID 171615624
2-butyl-1-heptyl-1H-pyrrol-1-ium;trifluoromethanesulfonate
CID 171615315
2-butyl-1-methyl-1H-pyrrol-1-ium;methanesulfonate
CID 171615946
1-butyl-2-ethyl-1H-pyrrol-1-ium cyanide
CID 171616162
1-decyl-2-propyl-1H-pyrrol-1-ium;trifluoromethanesulfonate
CID 171615746
2-methyl-1-nonyl-1H-pyrrol-1-ium cyanide
CID 171616022
2-ethyl-1-octyl-1H-pyrrol-1-ium;trifluoromethanesulfonate
CID 171616178
2-methyl-1-nonyl-1H-pyrrol-1-ium acetate
CID 171616054

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride?
The IUPAC name of 2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride (CID 171615306) is 2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride.
What is the SMILES notation for 2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride?
The canonical SMILES for 2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride is CCCCC1=CC=C[NH+]1CC.[F-].
What is the InChIKey of 2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride?
The InChIKey is KYPBFIQWSXEFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.FH/c1-3-5-7-10-8-6-9-11(10)4-2;/h6,8-9H,3-5,7H2,1-2H3;1H.
What are the key properties of 2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride?
2-butyl-1-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 2-butyl-1-ethyl-1H-pyrrol-1-ium fluoride is sourced from PubChem (CID 171615306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).