4-(4-fluorophenyl)sulfonyloxane

C11H13FO3S — CID 64718177

IUPAC4-(4-fluorophenyl)sulfonyloxane
SMILESO=S(=O)(c1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C11H13FO3S/c12-9-1-3-10(4-2-9)16(13,14)11-5-7-15-8-6-11/h1-4,11H,5-8H2
InChIKeyCQOVFMLAZKUMFY-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.78
Rot. Bonds2

About 4-(4-fluorophenyl)sulfonyloxane

4-(4-fluorophenyl)sulfonyloxane (PubChem CID 64718177) has the molecular formula C11H13FO3S and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfonyloxane.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfonyloxane
PubChem CID64718177
Molecular FormulaC11H13FO3S
Molecular Weight244.29 g/mol
Exact Mass244.06
IUPAC Name4-(4-fluorophenyl)sulfonyloxane
SMILESO=S(=O)(c1ccc(F)cc1)C1CCOCC1
InChIInChI=1S/C11H13FO3S/c12-9-1-3-10(4-2-9)16(13,14)11-5-7-15-8-6-11/h1-4,11H,5-8H2
InChIKeyCQOVFMLAZKUMFY-UHFFFAOYSA-N
XLogP1.78
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(4-fluorophenyl)sulfonyloxane 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 4-(4-fluorophenyl)sulfonyloxane?
The IUPAC name of 4-(4-fluorophenyl)sulfonyloxane (CID 64718177) is 4-(4-fluorophenyl)sulfonyloxane.
What is the SMILES notation for 4-(4-fluorophenyl)sulfonyloxane?
The canonical SMILES for 4-(4-fluorophenyl)sulfonyloxane is O=S(=O)(c1ccc(F)cc1)C1CCOCC1.
What is the InChIKey of 4-(4-fluorophenyl)sulfonyloxane?
The InChIKey is CQOVFMLAZKUMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3S/c12-9-1-3-10(4-2-9)16(13,14)11-5-7-15-8-6-11/h1-4,11H,5-8H2.
What are the key properties of 4-(4-fluorophenyl)sulfonyloxane?
4-(4-fluorophenyl)sulfonyloxane has a molecular weight of 244.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfonyloxane is sourced from PubChem (CID 64718177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).