2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone

C6Cl3F3OS — CID 86693744

IUPAC2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone
SMILESO=C(c1sc(Cl)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C6Cl3F3OS/c7-1-2(8)5(9)14-3(1)4(13)6(10,11)12
InChIKeyHMSVYBIFFZEIMQ-UHFFFAOYSA-N
MW283.49 g/mol
LogP4.45
Rot. Bonds1

About 2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone

2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone (PubChem CID 86693744) has the molecular formula C6Cl3F3OS and a molecular weight of 283.49 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone
PubChem CID86693744
Molecular FormulaC6Cl3F3OS
Molecular Weight283.49 g/mol
Exact Mass281.87
IUPAC Name2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone
SMILESO=C(c1sc(Cl)c(Cl)c1Cl)C(F)(F)F
InChIInChI=1S/C6Cl3F3OS/c7-1-2(8)5(9)14-3(1)4(13)6(10,11)12
InChIKeyHMSVYBIFFZEIMQ-UHFFFAOYSA-N
XLogP4.45
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.49
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone (CID 86693744) is 2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone is O=C(c1sc(Cl)c(Cl)c1Cl)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone?
The InChIKey is HMSVYBIFFZEIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl3F3OS/c7-1-2(8)5(9)14-3(1)4(13)6(10,11)12.
What are the key properties of 2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone?
2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone has a molecular weight of 283.49 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(3,4,5-trichlorothiophen-2-yl)ethanone is sourced from PubChem (CID 86693744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).