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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Related Compounds

sodium 4-ethyl-2-methoxybenzenesulfonate
CID 140661935
1,2-bis(difluoromethoxy)-4-ethylbenzene
CID 70298002
2,3-dichloro-4-(2,2-difluoroethoxy)benzenesulfonyl chloride
CID 60922522
5-ethyl-2-[(3-methylsulfonyl-2-pyridinyl)oxy]aniline
CID 114599147
1-[5-(4-chlorophenyl)-2-methylsulfonylphenoxy]-3-methylbutan-2-ol
CID 174431102
4-ethyl-2-fluorobenzenesulfonamide
CID 134317094
1-(5-methyl-2-methylsulfonylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 70614510
4-(2,2-difluoroethoxy)-3-propan-2-ylbenzenesulfonyl chloride
CID 60922524
4-bromo-1-methylsulfonyl-2-phenylmethoxybenzene
CID 75487824
N-[[4-(2,2-difluoroethoxy)-3-ethoxyphenyl]methyl]-2-methylpropan-1-amine
CID 63058247
N-[[3-bromo-4-(2,2-difluoroethoxy)phenyl]methyl]ethanamine
CID 63044994
2-(2,2-difluoroethoxy)-1-(4-ethylphenyl)propan-1-one
CID 82006429

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).