3,5-difluoro-4-(1-methylsulfonylethyl)phenol

C9H10F2O3S — CID 168998295

IUPAC3,5-difluoro-4-(1-methylsulfonylethyl)phenol
SMILESCC(c1c(F)cc(O)cc1F)S(C)(=O)=O
InChIInChI=1S/C9H10F2O3S/c1-5(15(2,13)14)9-7(10)3-6(12)4-8(9)11/h3-5,12H,1-2H3
InChIKeyYENWFYGFVVGYRG-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.78
Rot. Bonds2

About 3,5-difluoro-4-(1-methylsulfonylethyl)phenol

3,5-difluoro-4-(1-methylsulfonylethyl)phenol (PubChem CID 168998295) has the molecular formula C9H10F2O3S and a molecular weight of 236.24 g/mol. Its IUPAC name is 3,5-difluoro-4-(1-methylsulfonylethyl)phenol.

Molecular Properties

Compound Name3,5-difluoro-4-(1-methylsulfonylethyl)phenol
PubChem CID168998295
Molecular FormulaC9H10F2O3S
Molecular Weight236.24 g/mol
Exact Mass236.03
IUPAC Name3,5-difluoro-4-(1-methylsulfonylethyl)phenol
SMILESCC(c1c(F)cc(O)cc1F)S(C)(=O)=O
InChIInChI=1S/C9H10F2O3S/c1-5(15(2,13)14)9-7(10)3-6(12)4-8(9)11/h3-5,12H,1-2H3
InChIKeyYENWFYGFVVGYRG-UHFFFAOYSA-N
XLogP1.78
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-difluoro-4-(1-methylsulfonylethyl)phenol 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 3,5-difluoro-4-(1-methylsulfonylethyl)phenol?
The IUPAC name of 3,5-difluoro-4-(1-methylsulfonylethyl)phenol (CID 168998295) is 3,5-difluoro-4-(1-methylsulfonylethyl)phenol.
What is the SMILES notation for 3,5-difluoro-4-(1-methylsulfonylethyl)phenol?
The canonical SMILES for 3,5-difluoro-4-(1-methylsulfonylethyl)phenol is CC(c1c(F)cc(O)cc1F)S(C)(=O)=O.
What is the InChIKey of 3,5-difluoro-4-(1-methylsulfonylethyl)phenol?
The InChIKey is YENWFYGFVVGYRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3S/c1-5(15(2,13)14)9-7(10)3-6(12)4-8(9)11/h3-5,12H,1-2H3.
What are the key properties of 3,5-difluoro-4-(1-methylsulfonylethyl)phenol?
3,5-difluoro-4-(1-methylsulfonylethyl)phenol has a molecular weight of 236.24 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(1-methylsulfonylethyl)phenol is sourced from PubChem (CID 168998295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).