2-(difluoromethylsulfonyl)ethylbenzene

C9H10F2O2S — CID 155534948

IUPAC2-(difluoromethylsulfonyl)ethylbenzene
SMILESO=S(=O)(CCc1ccccc1)C(F)F
InChIInChI=1S/C9H10F2O2S/c10-9(11)14(12,13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyOWNKDAHEOJCUPR-UHFFFAOYSA-N
MW220.24 g/mol
LogP1.87
Rot. Bonds4

About 2-(difluoromethylsulfonyl)ethylbenzene

2-(difluoromethylsulfonyl)ethylbenzene (PubChem CID 155534948) has the molecular formula C9H10F2O2S and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)ethylbenzene.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)ethylbenzene
PubChem CID155534948
Molecular FormulaC9H10F2O2S
Molecular Weight220.24 g/mol
Exact Mass220.04
IUPAC Name2-(difluoromethylsulfonyl)ethylbenzene
SMILESO=S(=O)(CCc1ccccc1)C(F)F
InChIInChI=1S/C9H10F2O2S/c10-9(11)14(12,13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyOWNKDAHEOJCUPR-UHFFFAOYSA-N
XLogP1.87
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)ethylbenzene?
The IUPAC name of 2-(difluoromethylsulfonyl)ethylbenzene (CID 155534948) is 2-(difluoromethylsulfonyl)ethylbenzene.
What is the SMILES notation for 2-(difluoromethylsulfonyl)ethylbenzene?
The canonical SMILES for 2-(difluoromethylsulfonyl)ethylbenzene is O=S(=O)(CCc1ccccc1)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)ethylbenzene?
The InChIKey is OWNKDAHEOJCUPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2O2S/c10-9(11)14(12,13)7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 2-(difluoromethylsulfonyl)ethylbenzene?
2-(difluoromethylsulfonyl)ethylbenzene has a molecular weight of 220.24 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)ethylbenzene is sourced from PubChem (CID 155534948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).