(2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate

C7H5F3O3S2 — CID 162259476

IUPAC(2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate
SMILESO=C(COS(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C7H5F3O3S2/c8-7(9,10)15(12)13-4-5(11)6-2-1-3-14-6/h1-3H,4H2
InChIKeyTXYGGUADWOGEJX-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.13
Rot. Bonds4

About (2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate

(2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate (PubChem CID 162259476) has the molecular formula C7H5F3O3S2 and a molecular weight of 258.24 g/mol. Its IUPAC name is (2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate.

Molecular Properties

Compound Name(2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate
PubChem CID162259476
Molecular FormulaC7H5F3O3S2
Molecular Weight258.24 g/mol
Exact Mass257.96
IUPAC Name(2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate
SMILESO=C(COS(=O)C(F)(F)F)c1cccs1
InChIInChI=1S/C7H5F3O3S2/c8-7(9,10)15(12)13-4-5(11)6-2-1-3-14-6/h1-3H,4H2
InChIKeyTXYGGUADWOGEJX-UHFFFAOYSA-N
XLogP2.13
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-Difluoro-1-(thiophen-2-yl)ethan-1-one
CID 11435114
[1-(Benzenesulfonyl)-2-oxo-2-thiophen-2-ylethyl] trifluoromethanesulfonate
CID 177855359
2,2-Dihydroxy-1-(thiophen-2-yl)ethanone
CID 5118146
Ethanone, 2-hydroxy-1-(2-thienyl)-
CID 15584261
1-(2-Thienyl)-3,3,3-trifluoro-2-hydroxy-1-propanone
CID 10774790
2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]-1-thiophen-2-ylethanone
CID 21093209
2,2-Difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethoxy]-1-thiophen-2-ylethanone
CID 58764494
1-Thiophen-2-yl-2-(trifluoromethylsulfanyl)ethanone
CID 141408220
Europium;methanone;2,2,2-trifluoro-1-thiophen-2-ylethanone
CID 175297311
2-(Thiophene-2-carbonyl)pyran-4-one
CID 138976198
(2S)-2-(18F)fluoro-2-methoxy-1-thiophen-2-ylethanone
CID 162417172
1-Thiophen-2-yl-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799443

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate?
The IUPAC name of (2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate (CID 162259476) is (2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate.
What is the SMILES notation for (2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate?
The canonical SMILES for (2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate is O=C(COS(=O)C(F)(F)F)c1cccs1.
What is the InChIKey of (2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate?
The InChIKey is TXYGGUADWOGEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3O3S2/c8-7(9,10)15(12)13-4-5(11)6-2-1-3-14-6/h1-3H,4H2.
What are the key properties of (2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate?
(2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate has a molecular weight of 258.24 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-thiophen-2-ylethyl) trifluoromethanesulfinate is sourced from PubChem (CID 162259476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).