2-fluorocyclopentane-1-sulfonic acid

C5H9FO3S — CID 23054169

IUPAC2-fluorocyclopentane-1-sulfonic acid
SMILESO=S(=O)(O)C1CCCC1F
InChIInChI=1S/C5H9FO3S/c6-4-2-1-3-5(4)10(7,8)9/h4-5H,1-3H2,(H,7,8,9)
InChIKeyIYSUFAWCGVQYQD-UHFFFAOYSA-N
MW168.19 g/mol
LogP0.76
Rot. Bonds1

About 2-fluorocyclopentane-1-sulfonic acid

2-fluorocyclopentane-1-sulfonic acid (PubChem CID 23054169) has the molecular formula C5H9FO3S and a molecular weight of 168.19 g/mol. Its IUPAC name is 2-fluorocyclopentane-1-sulfonic acid.

Molecular Properties

Compound Name2-fluorocyclopentane-1-sulfonic acid
PubChem CID23054169
Molecular FormulaC5H9FO3S
Molecular Weight168.19 g/mol
Exact Mass168.03
IUPAC Name2-fluorocyclopentane-1-sulfonic acid
SMILESO=S(=O)(O)C1CCCC1F
InChIInChI=1S/C5H9FO3S/c6-4-2-1-3-5(4)10(7,8)9/h4-5H,1-3H2,(H,7,8,9)
InChIKeyIYSUFAWCGVQYQD-UHFFFAOYSA-N
XLogP0.76
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluorocyclopentane-1-sulfonic acid?
The IUPAC name of 2-fluorocyclopentane-1-sulfonic acid (CID 23054169) is 2-fluorocyclopentane-1-sulfonic acid.
What is the SMILES notation for 2-fluorocyclopentane-1-sulfonic acid?
The canonical SMILES for 2-fluorocyclopentane-1-sulfonic acid is O=S(=O)(O)C1CCCC1F.
What is the InChIKey of 2-fluorocyclopentane-1-sulfonic acid?
The InChIKey is IYSUFAWCGVQYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9FO3S/c6-4-2-1-3-5(4)10(7,8)9/h4-5H,1-3H2,(H,7,8,9).
What are the key properties of 2-fluorocyclopentane-1-sulfonic acid?
2-fluorocyclopentane-1-sulfonic acid has a molecular weight of 168.19 g/mol, XLogP of 0.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorocyclopentane-1-sulfonic acid is sourced from PubChem (CID 23054169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).