2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone

C15H12F2O4S — CID 11370798

IUPAC2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)COc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H12F2O4S/c1-22(19,20)12-5-2-10(3-6-12)14(18)9-21-15-7-4-11(16)8-13(15)17/h2-8H,9H2,1H3
InChIKeyPHUUAEKXLFCCKB-UHFFFAOYSA-N
MW326.32 g/mol
LogP2.63
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone

2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone (PubChem CID 11370798) has the molecular formula C15H12F2O4S and a molecular weight of 326.32 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
PubChem CID11370798
Molecular FormulaC15H12F2O4S
Molecular Weight326.32 g/mol
Exact Mass326.04
IUPAC Name2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone
SMILESCS(=O)(=O)c1ccc(C(=O)COc2ccc(F)cc2F)cc1
InChIInChI=1S/C15H12F2O4S/c1-22(19,20)12-5-2-10(3-6-12)14(18)9-21-15-7-4-11(16)8-13(15)17/h2-8H,9H2,1H3
InChIKeyPHUUAEKXLFCCKB-UHFFFAOYSA-N
XLogP2.63
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone (CID 11370798) is 2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone is CS(=O)(=O)c1ccc(C(=O)COc2ccc(F)cc2F)cc1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
The InChIKey is PHUUAEKXLFCCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O4S/c1-22(19,20)12-5-2-10(3-6-12)14(18)9-21-15-7-4-11(16)8-13(15)17/h2-8H,9H2,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone?
2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone has a molecular weight of 326.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-(4-methylsulfonylphenyl)ethanone is sourced from PubChem (CID 11370798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).