1-ethyl-1-methylpyrrolidin-1-ium fluoride

C7H16FN — CID 67241835

IUPAC1-ethyl-1-methylpyrrolidin-1-ium fluoride
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;/p-1
InChIKeyMGFYOGNIKUBJOB-UHFFFAOYSA-M
MW133.21 g/mol
LogP-1.75
Rot. Bonds1

About 1-ethyl-1-methylpyrrolidin-1-ium fluoride

1-ethyl-1-methylpyrrolidin-1-ium fluoride (PubChem CID 67241835) has the molecular formula C7H16FN and a molecular weight of 133.21 g/mol. Its IUPAC name is 1-ethyl-1-methylpyrrolidin-1-ium fluoride.

Molecular Properties

Compound Name1-ethyl-1-methylpyrrolidin-1-ium fluoride
PubChem CID67241835
Molecular FormulaC7H16FN
Molecular Weight133.21 g/mol
Exact Mass133.13
IUPAC Name1-ethyl-1-methylpyrrolidin-1-ium fluoride
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;/p-1
InChIKeyMGFYOGNIKUBJOB-UHFFFAOYSA-M
XLogP-1.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.21
LogP ≤ 5-1.75
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-Methylpyrrolidine
CID 8454
1-Butylpyrrolidine
CID 69843
1-Ethyl-1-methylpyrrolidinium Tetrafluoroborate
CID 18374068
1-Butyl-1-methylpyrrolidinium chloride
CID 11769095
1-Methyl-1-propylpyrrolidinium iodide
CID 12059922
1-Ethyl-1-methylpyrrolidinium bromide
CID 112264
Dimethylpyrrolidinium iodide
CID 200181
1-Butyl-1-methylpyrrolidinium bromide
CID 11009532
1-Methyl-1-propylpyrrolidinium chloride
CID 60196394
1-Butyl-1-methylpyrrolidinium iodide
CID 11076461
1-Ethylpyrrolidine
CID 81782
Pyrrolidine, 1-propyl-
CID 522490

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-1-methylpyrrolidin-1-ium fluoride?
The IUPAC name of 1-ethyl-1-methylpyrrolidin-1-ium fluoride (CID 67241835) is 1-ethyl-1-methylpyrrolidin-1-ium fluoride.
What is the SMILES notation for 1-ethyl-1-methylpyrrolidin-1-ium fluoride?
The canonical SMILES for 1-ethyl-1-methylpyrrolidin-1-ium fluoride is CC[N+]1(C)CCCC1.[F-].
What is the InChIKey of 1-ethyl-1-methylpyrrolidin-1-ium fluoride?
The InChIKey is MGFYOGNIKUBJOB-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H16N.FH/c1-3-8(2)6-4-5-7-8;/h3-7H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-ethyl-1-methylpyrrolidin-1-ium fluoride?
1-ethyl-1-methylpyrrolidin-1-ium fluoride has a molecular weight of 133.21 g/mol, XLogP of -1.75, 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 fluoride is sourced from PubChem (CID 67241835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).