2-(4-fluorophenyl)sulfonylethanol

C8H9FO3S — CID 2759144

IUPAC2-(4-fluorophenyl)sulfonylethanol
SMILESO=S(=O)(CCO)c1ccc(F)cc1
InChIInChI=1S/C8H9FO3S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4,10H,5-6H2
InChIKeyBUQOMEFZYUQRIV-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.59
Rot. Bonds3

About 2-(4-fluorophenyl)sulfonylethanol

2-(4-fluorophenyl)sulfonylethanol (PubChem CID 2759144) has the molecular formula C8H9FO3S and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfonylethanol.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfonylethanol
PubChem CID2759144
Molecular FormulaC8H9FO3S
Molecular Weight204.22 g/mol
Exact Mass204.03
IUPAC Name2-(4-fluorophenyl)sulfonylethanol
SMILESO=S(=O)(CCO)c1ccc(F)cc1
InChIInChI=1S/C8H9FO3S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4,10H,5-6H2
InChIKeyBUQOMEFZYUQRIV-UHFFFAOYSA-N
XLogP0.59
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfonylethanol?
The IUPAC name of 2-(4-fluorophenyl)sulfonylethanol (CID 2759144) is 2-(4-fluorophenyl)sulfonylethanol.
What is the SMILES notation for 2-(4-fluorophenyl)sulfonylethanol?
The canonical SMILES for 2-(4-fluorophenyl)sulfonylethanol is O=S(=O)(CCO)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfonylethanol?
The InChIKey is BUQOMEFZYUQRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO3S/c9-7-1-3-8(4-2-7)13(11,12)6-5-10/h1-4,10H,5-6H2.
What are the key properties of 2-(4-fluorophenyl)sulfonylethanol?
2-(4-fluorophenyl)sulfonylethanol has a molecular weight of 204.22 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfonylethanol is sourced from PubChem (CID 2759144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).