2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone

C9H8F3NO3S — CID 2775511

IUPAC2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCS(=O)(=O)CC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H8F3NO3S/c1-17(15,16)5-7(14)6-2-3-8(13-4-6)9(10,11)12/h2-4H,5H2,1H3
InChIKeyDRUMMBWRXKDSNX-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.33
Rot. Bonds3

About 2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone

2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone (PubChem CID 2775511) has the molecular formula C9H8F3NO3S and a molecular weight of 267.23 g/mol. Its IUPAC name is 2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
PubChem CID2775511
Molecular FormulaC9H8F3NO3S
Molecular Weight267.23 g/mol
Exact Mass267.02
IUPAC Name2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone
SMILESCS(=O)(=O)CC(=O)c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C9H8F3NO3S/c1-17(15,16)5-7(14)6-2-3-8(13-4-6)9(10,11)12/h2-4H,5H2,1H3
InChIKeyDRUMMBWRXKDSNX-UHFFFAOYSA-N
XLogP1.33
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The IUPAC name of 2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone (CID 2775511) is 2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone.
What is the SMILES notation for 2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The canonical SMILES for 2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone is CS(=O)(=O)CC(=O)c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
The InChIKey is DRUMMBWRXKDSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3S/c1-17(15,16)5-7(14)6-2-3-8(13-4-6)9(10,11)12/h2-4H,5H2,1H3.
What are the key properties of 2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone?
2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone has a molecular weight of 267.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1-[6-(trifluoromethyl)-3-pyridinyl]ethanone is sourced from PubChem (CID 2775511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).