1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C8H5Cl2F3O2S — CID 43799470

IUPAC1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H5Cl2F3O2S/c9-6-1-4(7(10)16-6)5(14)2-15-3-8(11,12)13/h1H,2-3H2
InChIKeyXMCATTRWNSJCGR-UHFFFAOYSA-N
MW293.09 g/mol
LogP3.82
Rot. Bonds4

About 1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 43799470) has the molecular formula C8H5Cl2F3O2S and a molecular weight of 293.09 g/mol. Its IUPAC name is 1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID43799470
Molecular FormulaC8H5Cl2F3O2S
Molecular Weight293.09 g/mol
Exact Mass291.93
IUPAC Name1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESO=C(COCC(F)(F)F)c1cc(Cl)sc1Cl
InChIInChI=1S/C8H5Cl2F3O2S/c9-6-1-4(7(10)16-6)5(14)2-15-3-8(11,12)13/h1H,2-3H2
InChIKeyXMCATTRWNSJCGR-UHFFFAOYSA-N
XLogP3.82
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 43799470) is 1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is O=C(COCC(F)(F)F)c1cc(Cl)sc1Cl.
What is the InChIKey of 1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is XMCATTRWNSJCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3O2S/c9-6-1-4(7(10)16-6)5(14)2-15-3-8(11,12)13/h1H,2-3H2.
What are the key properties of 1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 293.09 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorothiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 43799470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).