1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one

C10H9F3O3S — CID 102975061

IUPAC1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one
SMILESCC(=O)CS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O3S/c1-7(14)6-17(15,16)9-5-3-2-4-8(9)10(11,12)13/h2-5H,6H2,1H3
InChIKeyUWGQVZGSBYIMLR-UHFFFAOYSA-N
MW266.24 g/mol
LogP2.07
Rot. Bonds3

About 1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one

1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one (PubChem CID 102975061) has the molecular formula C10H9F3O3S and a molecular weight of 266.24 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one
PubChem CID102975061
Molecular FormulaC10H9F3O3S
Molecular Weight266.24 g/mol
Exact Mass266.02
IUPAC Name1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one
SMILESCC(=O)CS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H9F3O3S/c1-7(14)6-17(15,16)9-5-3-2-4-8(9)10(11,12)13/h2-5H,6H2,1H3
InChIKeyUWGQVZGSBYIMLR-UHFFFAOYSA-N
XLogP2.07
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 ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one?
The IUPAC name of 1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one (CID 102975061) is 1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one.
What is the SMILES notation for 1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one?
The canonical SMILES for 1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one is CC(=O)CS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one?
The InChIKey is UWGQVZGSBYIMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3S/c1-7(14)6-17(15,16)9-5-3-2-4-8(9)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one?
1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one has a molecular weight of 266.24 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)phenyl]sulfonylpropan-2-one is sourced from PubChem (CID 102975061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).