2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene

C11H14F2O3S — CID 178050325

IUPAC2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene
SMILESCCc1ccc(S(C)(=O)=O)c(OCC(F)F)c1
InChIInChI=1S/C11H14F2O3S/c1-3-8-4-5-10(17(2,14)15)9(6-8)16-7-11(12)13/h4-6,11H,3,7H2,1-2H3
InChIKeyGSLAVYNWLNTNOH-UHFFFAOYSA-N
MW264.29 g/mol
LogP2.30
Rot. Bonds5

About 2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene

2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene (PubChem CID 178050325) has the molecular formula C11H14F2O3S and a molecular weight of 264.29 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene
PubChem CID178050325
Molecular FormulaC11H14F2O3S
Molecular Weight264.29 g/mol
Exact Mass264.06
IUPAC Name2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene
SMILESCCc1ccc(S(C)(=O)=O)c(OCC(F)F)c1
InChIInChI=1S/C11H14F2O3S/c1-3-8-4-5-10(17(2,14)15)9(6-8)16-7-11(12)13/h4-6,11H,3,7H2,1-2H3
InChIKeyGSLAVYNWLNTNOH-UHFFFAOYSA-N
XLogP2.30
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene?
The IUPAC name of 2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene (CID 178050325) is 2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene is CCc1ccc(S(C)(=O)=O)c(OCC(F)F)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene?
The InChIKey is GSLAVYNWLNTNOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O3S/c1-3-8-4-5-10(17(2,14)15)9(6-8)16-7-11(12)13/h4-6,11H,3,7H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene?
2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene has a molecular weight of 264.29 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4-ethyl-1-methylsulfonylbenzene is sourced from PubChem (CID 178050325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).