3-(4-fluorophenyl)sulfonyloxetane

C9H9FO3S — CID 170957830

IUPAC3-(4-fluorophenyl)sulfonyloxetane
SMILESO=S(=O)(c1ccc(F)cc1)C1COC1
InChIInChI=1S/C9H9FO3S/c10-7-1-3-8(4-2-7)14(11,12)9-5-13-6-9/h1-4,9H,5-6H2
InChIKeyIXDNDRVWJOVLJV-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.00
Rot. Bonds2

About 3-(4-fluorophenyl)sulfonyloxetane

3-(4-fluorophenyl)sulfonyloxetane (PubChem CID 170957830) has the molecular formula C9H9FO3S and a molecular weight of 216.23 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyloxetane.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyloxetane
PubChem CID170957830
Molecular FormulaC9H9FO3S
Molecular Weight216.23 g/mol
Exact Mass216.03
IUPAC Name3-(4-fluorophenyl)sulfonyloxetane
SMILESO=S(=O)(c1ccc(F)cc1)C1COC1
InChIInChI=1S/C9H9FO3S/c10-7-1-3-8(4-2-7)14(11,12)9-5-13-6-9/h1-4,9H,5-6H2
InChIKeyIXDNDRVWJOVLJV-UHFFFAOYSA-N
XLogP1.00
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-fluorophenyl)sulfonyloxetane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyloxetane?
The IUPAC name of 3-(4-fluorophenyl)sulfonyloxetane (CID 170957830) is 3-(4-fluorophenyl)sulfonyloxetane.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyloxetane?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyloxetane is O=S(=O)(c1ccc(F)cc1)C1COC1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyloxetane?
The InChIKey is IXDNDRVWJOVLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3S/c10-7-1-3-8(4-2-7)14(11,12)9-5-13-6-9/h1-4,9H,5-6H2.
What are the key properties of 3-(4-fluorophenyl)sulfonyloxetane?
3-(4-fluorophenyl)sulfonyloxetane has a molecular weight of 216.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyloxetane is sourced from PubChem (CID 170957830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).