2-(difluoromethylsulfonyl)-1,4-dimethylbenzene

C9H10F2O2S — CID 4163708

IUPAC2-(difluoromethylsulfonyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(S(=O)(=O)C(F)F)c1
InChIInChI=1S/C9H10F2O2S/c1-6-3-4-7(2)8(5-6)14(12,13)9(10)11/h3-5,9H,1-2H3
InChIKeyOXAFRBYZAGHGRQ-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.30
Rot. Bonds2

About 2-(difluoromethylsulfonyl)-1,4-dimethylbenzene

2-(difluoromethylsulfonyl)-1,4-dimethylbenzene (PubChem CID 4163708) has the molecular formula C9H10F2O2S and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)-1,4-dimethylbenzene.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)-1,4-dimethylbenzene
PubChem CID4163708
Molecular FormulaC9H10F2O2S
Molecular Weight220.24 g/mol
Exact Mass220.04
IUPAC Name2-(difluoromethylsulfonyl)-1,4-dimethylbenzene
SMILESCc1ccc(C)c(S(=O)(=O)C(F)F)c1
InChIInChI=1S/C9H10F2O2S/c1-6-3-4-7(2)8(5-6)14(12,13)9(10)11/h3-5,9H,1-2H3
InChIKeyOXAFRBYZAGHGRQ-UHFFFAOYSA-N
XLogP2.30
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(difluoromethylsulfonyl)-1,4-dimethylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(difluoromethylsulfonyl)-4-methylaniline
CID 81191126
cesium 2,5-dimethylbenzenesulfonate
CID 100951961
2-(2,5-dimethylphenyl)sulfonyl-3-methylbutanoic acid
CID 43120494
2,5-dimethylbenzenesulfonic acid;hydrochloride
CID 174425760
2,5-dimethylbenzenesulfonic acid;methane
CID 160542047
2,5-dimethylbenzenesulfonic acid;ethane
CID 144520700
1-(difluoromethylsulfonyl)-4-methylbenzene;fluoromethane
CID 143485097
(2,5-dimethylphenyl)-ethyl-imino-oxo-λ6-sulfane
CID 125424557
N-(2,4-dimethylpentan-3-yl)-2,5-dimethylbenzenesulfonamide
CID 53289057
2,5-dimethyl-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 22774539
2-cycloheptyl-2-(2,5-dimethylphenyl)sulfonylacetonitrile
CID 82933425
1-(2,5-dimethylphenyl)sulfonyl-3,3-dimethylbutan-2-amine
CID 64640442

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)-1,4-dimethylbenzene?
The IUPAC name of 2-(difluoromethylsulfonyl)-1,4-dimethylbenzene (CID 4163708) is 2-(difluoromethylsulfonyl)-1,4-dimethylbenzene.
What is the SMILES notation for 2-(difluoromethylsulfonyl)-1,4-dimethylbenzene?
The canonical SMILES for 2-(difluoromethylsulfonyl)-1,4-dimethylbenzene is Cc1ccc(C)c(S(=O)(=O)C(F)F)c1.
What is the InChIKey of 2-(difluoromethylsulfonyl)-1,4-dimethylbenzene?
The InChIKey is OXAFRBYZAGHGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2S/c1-6-3-4-7(2)8(5-6)14(12,13)9(10)11/h3-5,9H,1-2H3.
What are the key properties of 2-(difluoromethylsulfonyl)-1,4-dimethylbenzene?
2-(difluoromethylsulfonyl)-1,4-dimethylbenzene has a molecular weight of 220.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)-1,4-dimethylbenzene is sourced from PubChem (CID 4163708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).