1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene

C10H12F2O3S — CID 21025674

IUPAC1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene
SMILESCCS(=O)(=O)Cc1ccccc1OC(F)F
InChIInChI=1S/C10H12F2O3S/c1-2-16(13,14)7-8-5-3-4-6-9(8)15-10(11)12/h3-6,10H,2,7H2,1H3
InChIKeyQETDRDXSHMLLDR-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.22
Rot. Bonds5

About 1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene

1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene (PubChem CID 21025674) has the molecular formula C10H12F2O3S and a molecular weight of 250.27 g/mol. Its IUPAC name is 1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene
PubChem CID21025674
Molecular FormulaC10H12F2O3S
Molecular Weight250.27 g/mol
Exact Mass250.05
IUPAC Name1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene
SMILESCCS(=O)(=O)Cc1ccccc1OC(F)F
InChIInChI=1S/C10H12F2O3S/c1-2-16(13,14)7-8-5-3-4-6-9(8)15-10(11)12/h3-6,10H,2,7H2,1H3
InChIKeyQETDRDXSHMLLDR-UHFFFAOYSA-N
XLogP2.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene 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 1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene?
The IUPAC name of 1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene (CID 21025674) is 1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene.
What is the SMILES notation for 1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene?
The canonical SMILES for 1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene is CCS(=O)(=O)Cc1ccccc1OC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene?
The InChIKey is QETDRDXSHMLLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2O3S/c1-2-16(13,14)7-8-5-3-4-6-9(8)15-10(11)12/h3-6,10H,2,7H2,1H3.
What are the key properties of 1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene?
1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene has a molecular weight of 250.27 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-2-(ethylsulfonylmethyl)benzene is sourced from PubChem (CID 21025674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).