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

C9H11FO3S — CID 105425916

IUPAC2-fluoro-2-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(F)CO)cc1
InChIInChI=1S/C9H11FO3S/c1-14(12,13)8-4-2-7(3-5-8)9(10)6-11/h2-5,9,11H,6H2,1H3
InChIKeyACINIPDQDLRXOQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP1.09
Rot. Bonds3

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

2-fluoro-2-(4-methylsulfonylphenyl)ethanol (PubChem CID 105425916) has the molecular formula C9H11FO3S and a molecular weight of 218.25 g/mol. Its IUPAC name is 2-fluoro-2-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-fluoro-2-(4-methylsulfonylphenyl)ethanol
PubChem CID105425916
Molecular FormulaC9H11FO3S
Molecular Weight218.25 g/mol
Exact Mass218.04
IUPAC Name2-fluoro-2-(4-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1ccc(C(F)CO)cc1
InChIInChI=1S/C9H11FO3S/c1-14(12,13)8-4-2-7(3-5-8)9(10)6-11/h2-5,9,11H,6H2,1H3
InChIKeyACINIPDQDLRXOQ-UHFFFAOYSA-N
XLogP1.09
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 ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-fluoro-2-(4-methylsulfonylphenyl)ethanol (CID 105425916) is 2-fluoro-2-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-fluoro-2-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-fluoro-2-(4-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1ccc(C(F)CO)cc1.
What is the InChIKey of 2-fluoro-2-(4-methylsulfonylphenyl)ethanol?
The InChIKey is ACINIPDQDLRXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO3S/c1-14(12,13)8-4-2-7(3-5-8)9(10)6-11/h2-5,9,11H,6H2,1H3.
What are the key properties of 2-fluoro-2-(4-methylsulfonylphenyl)ethanol?
2-fluoro-2-(4-methylsulfonylphenyl)ethanol has a molecular weight of 218.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 105425916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).