1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride

C7H17FN+ — CID 130276515

IUPAC1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride
SMILESCC[N+]1(C)CCCC1.F
InChIInChI=1S/C7H16N.FH/c1-3-8(2)6-4-5-7-8;/h3-7H2,1-2H3;1H/q+1;
InChIKeyMGFYOGNIKUBJOB-UHFFFAOYSA-N
MW134.22 g/mol
LogP1.40
Rot. Bonds1

About 1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride

1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride (PubChem CID 130276515) has the molecular formula C7H17FN+ and a molecular weight of 134.22 g/mol. Its IUPAC name is 1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride.

Molecular Properties

Compound Name1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride
PubChem CID130276515
Molecular FormulaC7H17FN+
Molecular Weight134.22 g/mol
Exact Mass134.13
IUPAC Name1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride
SMILESCC[N+]1(C)CCCC1.F
InChIInChI=1S/C7H16N.FH/c1-3-8(2)6-4-5-7-8;/h3-7H2,1-2H3;1H/q+1;
InChIKeyMGFYOGNIKUBJOB-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.22
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-1-methylpyrrolidin-1-ium fluoride
CID 67241835
1-ethyl-1-methylazepan-1-ium iodide
CID 134896508
1-ethyl-1-methylpyrrolidin-1-ium cyanide
CID 87321846
1-ethyl-1,9,9-trimethyl-1,9-diazoniacyclooctadecane
CID 54262537
1-ethyl-1-methyl-7-aza-1-azoniacyclotetradecane
CID 123632627
benzene-1,4-disulfonate;bis(1-ethyl-1-methylpyrrolidin-1-ium)
CID 140766318
1-methyl-1-propylpiperidin-1-ium;1-methyl-1-propylpyrrolidin-1-ium
CID 160666992
1-(bromomethyl)-1-methylpyrrolidin-1-ium
CID 86725150
1,5-diethyl-1,4-dimethylazocan-1-ium
CID 123225609
1-butyl-1-methylpyrrolidin-1-ium iodide
CID 11076461
1-methyl-1-[16-(1-methylpyrrolidin-1-ium-1-yl)hexadecyl]pyrrolidin-1-ium
CID 10650384
1-(bromomethyl)-1-methylpyrrolidin-1-ium bromide
CID 86725149

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride?
The IUPAC name of 1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride (CID 130276515) is 1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride.
What is the SMILES notation for 1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride?
The canonical SMILES for 1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride is CC[N+]1(C)CCCC1.F.
What is the InChIKey of 1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride?
The InChIKey is MGFYOGNIKUBJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N.FH/c1-3-8(2)6-4-5-7-8;/h3-7H2,1-2H3;1H/q+1;.
What are the key properties of 1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride?
1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride has a molecular weight of 134.22 g/mol, XLogP of 1.40, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-1-methylpyrrolidin-1-ium;hydrofluoride is sourced from PubChem (CID 130276515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).