2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone

C6H3F3O3S2 — CID 22100045

IUPAC2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone
SMILESO=C(C(F)(F)F)S(=O)(=O)c1cccs1
InChIInChI=1S/C6H3F3O3S2/c7-6(8,9)5(10)14(11,12)4-2-1-3-13-4/h1-3H
InChIKeyPBZPGFGIOIJFRQ-UHFFFAOYSA-N
MW244.22 g/mol
LogP1.61
Rot. Bonds1

About 2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone

2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone (PubChem CID 22100045) has the molecular formula C6H3F3O3S2 and a molecular weight of 244.22 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone
PubChem CID22100045
Molecular FormulaC6H3F3O3S2
Molecular Weight244.22 g/mol
Exact Mass243.95
IUPAC Name2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone
SMILESO=C(C(F)(F)F)S(=O)(=O)c1cccs1
InChIInChI=1S/C6H3F3O3S2/c7-6(8,9)5(10)14(11,12)4-2-1-3-13-4/h1-3H
InChIKeyPBZPGFGIOIJFRQ-UHFFFAOYSA-N
XLogP1.61
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

2-Thiophenesulfonyl chloride
CID 85518
Thiophene-2-sulfonyl fluoride
CID 19098976
3-Fluorothiophene-2-sulfonyl chloride
CID 15158653
2-((Trifluoromethyl)sulfonyl)thiophene
CID 12288221
Thiophene-2-thiol, S-trifluoroacetyl-
CID 91709065
Thiophene-2-thiol, S-pentafluoropropionyl-
CID 91709421
2-[(1R,2R)-2-fluorocyclopropyl]sulfonylthiophene
CID 164680120
Thiophene-2,4-disulfonyl fluoride
CID 18930945
2-(4,4-Difluorobut-3-enylsulfonyl)thiophene
CID 21850501
2-Thienylsulfonyl-trifluoromethanesulfonyl-methane
CID 22677141
(Thiophen-2-ylsulfonylamino) 2,2,2-trifluoroacetate
CID 57476061
3-(1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexylsulfonyl)thiophene
CID 57694417

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone?
The IUPAC name of 2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone (CID 22100045) is 2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone is O=C(C(F)(F)F)S(=O)(=O)c1cccs1.
What is the InChIKey of 2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone?
The InChIKey is PBZPGFGIOIJFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3O3S2/c7-6(8,9)5(10)14(11,12)4-2-1-3-13-4/h1-3H.
What are the key properties of 2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone?
2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone has a molecular weight of 244.22 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-thiophen-2-ylsulfonylethanone is sourced from PubChem (CID 22100045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).