1-fluoro-2-(4-methylsulfonylphenyl)ethanol

C9H11FO3S — CID 174672039

IUPAC1-fluoro-2-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(CC(O)F)cc1
InChIInChI=1S/C9H11FO3S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5,9,11H,6H2,1H3
InChIKeyXWZQEPPXVDADIN-UHFFFAOYSA-N
MW218.25 g/mol
LogP0.92
Rot. Bonds3

About 1-fluoro-2-(4-methylsulfonylphenyl)ethanol

1-fluoro-2-(4-methylsulfonylphenyl)ethanol (PubChem CID 174672039) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is 1-fluoro-2-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name1-fluoro-2-(4-methylsulfonylphenyl)ethanol
PubChem CID174672039
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name1-fluoro-2-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(CC(O)F)cc1
InChIInChI=1S/C9H11FO3S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5,9,11H,6H2,1H3
InChIKeyXWZQEPPXVDADIN-UHFFFAOYSA-N
XLogP0.92
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 1-fluoro-2-(4-methylsulfonylphenyl)ethanol (CID 174672039) is 1-fluoro-2-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 1-fluoro-2-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 1-fluoro-2-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(CC(O)F)cc1.
What is the InChIKey of 1-fluoro-2-(4-methylsulfonylphenyl)ethanol?
The InChIKey is XWZQEPPXVDADIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-14(12,13)8-4-2-7(3-5-8)6-9(10)11/h2-5,9,11H,6H2,1H3.
What are the key properties of 1-fluoro-2-(4-methylsulfonylphenyl)ethanol?
1-fluoro-2-(4-methylsulfonylphenyl)ethanol has a molecular weight of 218.25 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 174672039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).