1-(difluoromethoxy)-4-ethylsulfonylbenzene

C9H10F2O3S — CID 71207645

IUPAC1-(difluoromethoxy)-4-ethylsulfonylbenzene
SMILESCCS(=O)(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C9H10F2O3S/c1-2-15(12,13)8-5-3-7(4-6-8)14-9(10)11/h3-6,9H,2H2,1H3
InChIKeyAEAJSBSOGXEXLB-UHFFFAOYSA-N
MW236.24 g/mol
LogP2.08
Rot. Bonds4

About 1-(difluoromethoxy)-4-ethylsulfonylbenzene

1-(difluoromethoxy)-4-ethylsulfonylbenzene (PubChem CID 71207645) has the molecular formula C9H10F2O3S and a molecular weight of 236.24 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-ethylsulfonylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-ethylsulfonylbenzene
PubChem CID71207645
Molecular FormulaC9H10F2O3S
Molecular Weight236.24 g/mol
Exact Mass236.03
IUPAC Name1-(difluoromethoxy)-4-ethylsulfonylbenzene
SMILESCCS(=O)(=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C9H10F2O3S/c1-2-15(12,13)8-5-3-7(4-6-8)14-9(10)11/h3-6,9H,2H2,1H3
InChIKeyAEAJSBSOGXEXLB-UHFFFAOYSA-N
XLogP2.08
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethoxy)benzenesulfonate
CID 150290603
1-ethoxy-4-ethylsulfonylbenzene
CID 12846221
carbanide;[4-(difluoromethoxy)phenyl]sulfonyl-methylazanide;yttrium
CID 58436419
1-(difluoromethoxy)-4-(propylsulfonylmethyl)benzene
CID 18337001
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
N-(1,3-diaminopropan-2-yl)-4-(difluoromethoxy)benzenesulfonamide
CID 167775833
(2S)-N-(4-ethylsulfonylphenyl)-2-(4-fluorophenoxy)propanamide
CID 42022358
1-(difluoromethoxy)-4-(fluoromethoxy)benzene
CID 137408791
1-[4-(difluoromethoxy)phenyl]-2-methylsulfonylethanol
CID 166194503
2-(4-ethylsulfonylphenyl)-2-fluoroethanol
CID 105425917
N-[4-[3-[4-(difluoromethoxy)phenyl]-3-phenylprop-1-ynyl]phenyl]-2-(4-ethylsulfonylphenyl)acetamide
CID 141463810
N-[4-(difluoromethoxy)phenyl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 8502565

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-ethylsulfonylbenzene?
The IUPAC name of 1-(difluoromethoxy)-4-ethylsulfonylbenzene (CID 71207645) is 1-(difluoromethoxy)-4-ethylsulfonylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-ethylsulfonylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-4-ethylsulfonylbenzene is CCS(=O)(=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-ethylsulfonylbenzene?
The InChIKey is AEAJSBSOGXEXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O3S/c1-2-15(12,13)8-5-3-7(4-6-8)14-9(10)11/h3-6,9H,2H2,1H3.
What are the key properties of 1-(difluoromethoxy)-4-ethylsulfonylbenzene?
1-(difluoromethoxy)-4-ethylsulfonylbenzene has a molecular weight of 236.24 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-ethylsulfonylbenzene is sourced from PubChem (CID 71207645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).