1-fluoropiperidin-1-ium-1-sulfonic acid

C5H11FNO3S+ — CID 57040286

IUPAC1-fluoropiperidin-1-ium-1-sulfonic acid
SMILESO=S(=O)(O)[N+]1(F)CCCCC1
InChIInChI=1S/C5H10FNO3S/c6-7(11(8,9)10)4-2-1-3-5-7/h1-5H2/p+1
InChIKeyZQBQKUFQKXIMRU-UHFFFAOYSA-O
MW184.21 g/mol
LogP0.67
Rot. Bonds1

About 1-fluoropiperidin-1-ium-1-sulfonic acid

1-fluoropiperidin-1-ium-1-sulfonic acid (PubChem CID 57040286) has the molecular formula C5H11FNO3S+ and a molecular weight of 184.21 g/mol. Its IUPAC name is 1-fluoropiperidin-1-ium-1-sulfonic acid.

Molecular Properties

Compound Name1-fluoropiperidin-1-ium-1-sulfonic acid
PubChem CID57040286
Molecular FormulaC5H11FNO3S+
Molecular Weight184.21 g/mol
Exact Mass184.04
IUPAC Name1-fluoropiperidin-1-ium-1-sulfonic acid
SMILESO=S(=O)(O)[N+]1(F)CCCCC1
InChIInChI=1S/C5H10FNO3S/c6-7(11(8,9)10)4-2-1-3-5-7/h1-5H2/p+1
InChIKeyZQBQKUFQKXIMRU-UHFFFAOYSA-O
XLogP0.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoropiperidin-1-ium-1-sulfonic acid?
The IUPAC name of 1-fluoropiperidin-1-ium-1-sulfonic acid (CID 57040286) is 1-fluoropiperidin-1-ium-1-sulfonic acid.
What is the SMILES notation for 1-fluoropiperidin-1-ium-1-sulfonic acid?
The canonical SMILES for 1-fluoropiperidin-1-ium-1-sulfonic acid is O=S(=O)(O)[N+]1(F)CCCCC1.
What is the InChIKey of 1-fluoropiperidin-1-ium-1-sulfonic acid?
The InChIKey is ZQBQKUFQKXIMRU-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H10FNO3S/c6-7(11(8,9)10)4-2-1-3-5-7/h1-5H2/p+1.
What are the key properties of 1-fluoropiperidin-1-ium-1-sulfonic acid?
1-fluoropiperidin-1-ium-1-sulfonic acid has a molecular weight of 184.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropiperidin-1-ium-1-sulfonic acid is sourced from PubChem (CID 57040286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).