2,2,2-trifluoroethylsulfonylmethylbenzene

C9H9F3O2S — CID 10799921

IUPAC2,2,2-trifluoroethylsulfonylmethylbenzene
SMILESO=S(=O)(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C9H9F3O2S/c10-9(11,12)7-15(13,14)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFDLQOARCLYPSFE-UHFFFAOYSA-N
MW238.23 g/mol
LogP2.16
Rot. Bonds3

About 2,2,2-trifluoroethylsulfonylmethylbenzene

2,2,2-trifluoroethylsulfonylmethylbenzene (PubChem CID 10799921) has the molecular formula C9H9F3O2S and a molecular weight of 238.23 g/mol. Its IUPAC name is 2,2,2-trifluoroethylsulfonylmethylbenzene.

Molecular Properties

Compound Name2,2,2-trifluoroethylsulfonylmethylbenzene
PubChem CID10799921
Molecular FormulaC9H9F3O2S
Molecular Weight238.23 g/mol
Exact Mass238.03
IUPAC Name2,2,2-trifluoroethylsulfonylmethylbenzene
SMILESO=S(=O)(Cc1ccccc1)CC(F)(F)F
InChIInChI=1S/C9H9F3O2S/c10-9(11,12)7-15(13,14)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyFDLQOARCLYPSFE-UHFFFAOYSA-N
XLogP2.16
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.23
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoroethylsulfonylmethylbenzene?
The IUPAC name of 2,2,2-trifluoroethylsulfonylmethylbenzene (CID 10799921) is 2,2,2-trifluoroethylsulfonylmethylbenzene.
What is the SMILES notation for 2,2,2-trifluoroethylsulfonylmethylbenzene?
The canonical SMILES for 2,2,2-trifluoroethylsulfonylmethylbenzene is O=S(=O)(Cc1ccccc1)CC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoroethylsulfonylmethylbenzene?
The InChIKey is FDLQOARCLYPSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3O2S/c10-9(11,12)7-15(13,14)6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2,2,2-trifluoroethylsulfonylmethylbenzene?
2,2,2-trifluoroethylsulfonylmethylbenzene has a molecular weight of 238.23 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoroethylsulfonylmethylbenzene is sourced from PubChem (CID 10799921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).