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

C10H11F3O2S — CID 43799452

IUPAC1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCc1cc(C(=O)COCC(F)(F)F)c(C)s1
InChIInChI=1S/C10H11F3O2S/c1-6-3-8(7(2)16-6)9(14)4-15-5-10(11,12)13/h3H,4-5H2,1-2H3
InChIKeyINKRTQUGPJURMH-UHFFFAOYSA-N
MW252.26 g/mol
LogP3.13
Rot. Bonds4

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

1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (PubChem CID 43799452) has the molecular formula C10H11F3O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is 1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
PubChem CID43799452
Molecular FormulaC10H11F3O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
SMILESCc1cc(C(=O)COCC(F)(F)F)c(C)s1
InChIInChI=1S/C10H11F3O2S/c1-6-3-8(7(2)16-6)9(14)4-15-5-10(11,12)13/h3H,4-5H2,1-2H3
InChIKeyINKRTQUGPJURMH-UHFFFAOYSA-N
XLogP3.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylthiophen-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 103206517
2-but-2-enoxy-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 76938323
2,5-dimethyl-N-(2,2,2-trifluoroethoxy)thiophene-3-carboxamide
CID 81339728
1-(2,4-dimethylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799480
1-(2,5-difluoro-4-methylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206753
2-(2-butoxyethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43800187
2-(2-cyclobutylethoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 106203300
1-(5-chloro-4-methylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206875
1-(2,5-dimethylthiophen-3-yl)-2-pent-4-enoxyethanone
CID 79113773
1-(2,5-dimethylthiophen-3-yl)-2-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]sulfanylethanone
CID 15351461
2-(3,5-dimethylphenoxy)-1-(2,5-dimethylthiophen-3-yl)ethanone
CID 43612324
1-(2,5-dimethylthiophen-3-yl)-2-(2-phenoxyethoxy)ethanone
CID 43798594

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The IUPAC name of 1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone (CID 43799452) is 1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone.
What is the SMILES notation for 1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The canonical SMILES for 1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is Cc1cc(C(=O)COCC(F)(F)F)c(C)s1.
What is the InChIKey of 1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
The InChIKey is INKRTQUGPJURMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2S/c1-6-3-8(7(2)16-6)9(14)4-15-5-10(11,12)13/h3H,4-5H2,1-2H3.
What are the key properties of 1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone?
1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone has a molecular weight of 252.26 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylthiophen-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone is sourced from PubChem (CID 43799452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).