1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone

C10H11F3O2S — CID 43799450

IUPAC1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCc1ccc(C(=O)COCC(F)(F)F)s1
InChIInChI=1S/C10H11F3O2S/c1-2-7-3-4-9(16-7)8(14)5-15-6-10(11,12)13/h3-4H,2,5-6H2,1H3
InChIKeyAFEOCRMJUMHTOT-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.07
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone

1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 43799450) has the molecular formula C10H11F3O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID43799450
Molecular FormulaC10H11F3O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCCc1ccc(C(=O)COCC(F)(F)F)s1
InChIInChI=1S/C10H11F3O2S/c1-2-7-3-4-9(16-7)8(14)5-15-6-10(11,12)13/h3-4H,2,5-6H2,1H3
InChIKeyAFEOCRMJUMHTOT-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-pentoxyethanone
CID 43801255
1-(5-ethylthiophen-2-yl)-2-(3-methoxypropoxy)ethanone
CID 60918638
1-(5-ethylthiophen-2-yl)-2-[3-(2-methoxyethoxy)propoxy]ethanone
CID 103403816
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
CID 43612242
1-(5-ethylthiophen-2-yl)-2-[(4-methoxyphenyl)methoxy]ethanone
CID 62031414
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-chloro-4-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206875
2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222190
1-(5-ethylthiophen-2-yl)pentan-1-one
CID 43160903
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
1-(5-ethylthiophen-2-yl)-3-methylbut-3-en-1-one
CID 115780489
1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799452

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 43799450) is 1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone is CCc1ccc(C(=O)COCC(F)(F)F)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is AFEOCRMJUMHTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2S/c1-2-7-3-4-9(16-7)8(14)5-15-6-10(11,12)13/h3-4H,2,5-6H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 252.26 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 43799450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).