1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone

C10H9F3O4S — CID 10085154

IUPAC1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone
SMILESCOc1ccc(C(=O)CS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O4S/c1-17-8-4-2-7(3-5-8)9(14)6-18(15,16)10(11,12)13/h2-5H,6H2,1H3
InChIKeyCEWUATMZDJHEHY-UHFFFAOYSA-N
MW282.24 g/mol
LogP1.81
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone

1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone (PubChem CID 10085154) has the molecular formula C10H9F3O4S and a molecular weight of 282.24 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone
PubChem CID10085154
Molecular FormulaC10H9F3O4S
Molecular Weight282.24 g/mol
Exact Mass282.02
IUPAC Name1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone
SMILESCOc1ccc(C(=O)CS(=O)(=O)C(F)(F)F)cc1
InChIInChI=1S/C10H9F3O4S/c1-17-8-4-2-7(3-5-8)9(14)6-18(15,16)10(11,12)13/h2-5H,6H2,1H3
InChIKeyCEWUATMZDJHEHY-UHFFFAOYSA-N
XLogP1.81
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
1-methoxy-4-(trifluoromethylsulfonylmethylsulfonyl)benzene
CID 1482939
4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
CID 2782518
2-(4-methoxyphenyl)sulfonyl-1-phenylethanone
CID 10334404
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
1-(4-methoxyphenyl)-2-(oxan-4-ylsulfonyl)ethanone
CID 64636979
2,2,3,3,3-pentafluoro-N-[2-(4-methoxyphenyl)-2-oxoethyl]propanamide
CID 584711
N-[2-(4-methoxyphenyl)-2-oxoethyl]ethanesulfonamide
CID 58597503
1-(4-methoxyphenyl)-2-[[2-(4-methoxyphenyl)-2-oxoethyl]-dimethyl-λ4-selanyl]ethanone
CID 21357126
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
4-amino-1-(4-methoxyphenyl)-4-methylpentan-1-one
CID 116571375

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone (CID 10085154) is 1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone is COc1ccc(C(=O)CS(=O)(=O)C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone?
The InChIKey is CEWUATMZDJHEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4S/c1-17-8-4-2-7(3-5-8)9(14)6-18(15,16)10(11,12)13/h2-5H,6H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone?
1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone has a molecular weight of 282.24 g/mol, XLogP of 1.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(trifluoromethylsulfonyl)ethanone is sourced from PubChem (CID 10085154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).