2-fluoro-2-(2-methoxyphenyl)sulfonylethanol

C9H11FO4S — CID 115040041

IUPAC2-fluoro-2-(2-methoxyphenyl)sulfonylethanol
SMILESCOc1ccccc1S(=O)(=O)C(F)CO
InChIInChI=1S/C9H11FO4S/c1-14-7-4-2-3-5-8(7)15(12,13)9(10)6-11/h2-5,9,11H,6H2,1H3
InChIKeyUQBFPQROTYNBRN-UHFFFAOYSA-N
MW234.25 g/mol
LogP0.76
Rot. Bonds4

About 2-fluoro-2-(2-methoxyphenyl)sulfonylethanol

2-fluoro-2-(2-methoxyphenyl)sulfonylethanol (PubChem CID 115040041) has the molecular formula C9H11FO4S and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-fluoro-2-(2-methoxyphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-fluoro-2-(2-methoxyphenyl)sulfonylethanol
PubChem CID115040041
Molecular FormulaC9H11FO4S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name2-fluoro-2-(2-methoxyphenyl)sulfonylethanol
SMILESCOc1ccccc1S(=O)(=O)C(F)CO
InChIInChI=1S/C9H11FO4S/c1-14-7-4-2-3-5-8(7)15(12,13)9(10)6-11/h2-5,9,11H,6H2,1H3
InChIKeyUQBFPQROTYNBRN-UHFFFAOYSA-N
XLogP0.76
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-2-(2-methoxyphenyl)sulfonylethanol 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 2-fluoro-2-(2-methoxyphenyl)sulfonylethanol?
The IUPAC name of 2-fluoro-2-(2-methoxyphenyl)sulfonylethanol (CID 115040041) is 2-fluoro-2-(2-methoxyphenyl)sulfonylethanol.
What is the SMILES notation for 2-fluoro-2-(2-methoxyphenyl)sulfonylethanol?
The canonical SMILES for 2-fluoro-2-(2-methoxyphenyl)sulfonylethanol is COc1ccccc1S(=O)(=O)C(F)CO.
What is the InChIKey of 2-fluoro-2-(2-methoxyphenyl)sulfonylethanol?
The InChIKey is UQBFPQROTYNBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO4S/c1-14-7-4-2-3-5-8(7)15(12,13)9(10)6-11/h2-5,9,11H,6H2,1H3.
What are the key properties of 2-fluoro-2-(2-methoxyphenyl)sulfonylethanol?
2-fluoro-2-(2-methoxyphenyl)sulfonylethanol has a molecular weight of 234.25 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-methoxyphenyl)sulfonylethanol is sourced from PubChem (CID 115040041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).