2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone

C10H9F3O3S — CID 2775503

IUPAC2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESCS(=O)(=O)CC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O3S/c1-17(15,16)6-9(14)7-4-2-3-5-8(7)10(11,12)13/h2-5H,6H2,1H3
InChIKeySCGOBFQQPDHVJD-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.93
Rot. Bonds3

About 2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone

2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone (PubChem CID 2775503) has the molecular formula C10H9F3O3S and a molecular weight of 266.24 g/mol. Its IUPAC name is 2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone.

Molecular Properties

Compound Name2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone
PubChem CID2775503
Molecular FormulaC10H9F3O3S
Molecular Weight266.24 g/mol
Exact Mass266.02
IUPAC Name2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone
SMILESCS(=O)(=O)CC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O3S/c1-17(15,16)6-9(14)7-4-2-3-5-8(7)10(11,12)13/h2-5H,6H2,1H3
InChIKeySCGOBFQQPDHVJD-UHFFFAOYSA-N
XLogP1.93
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone?
The IUPAC name of 2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone (CID 2775503) is 2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone.
What is the SMILES notation for 2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone?
The canonical SMILES for 2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone is CS(=O)(=O)CC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone?
The InChIKey is SCGOBFQQPDHVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3S/c1-17(15,16)6-9(14)7-4-2-3-5-8(7)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone?
2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone has a molecular weight of 266.24 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-[2-(trifluoromethyl)phenyl]ethanone is sourced from PubChem (CID 2775503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).