2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone

C14H12F2O2S — CID 43222190

IUPAC2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)COc2ccc(F)cc2F)s1
InChIInChI=1S/C14H12F2O2S/c1-2-10-4-6-14(19-10)12(17)8-18-13-5-3-9(15)7-11(13)16/h3-7H,2,8H2,1H3
InChIKeyGTVVSVFAVOESQP-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.85
Rot. Bonds5

About 2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone

2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone (PubChem CID 43222190) has the molecular formula C14H12F2O2S and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
PubChem CID43222190
Molecular FormulaC14H12F2O2S
Molecular Weight282.31 g/mol
Exact Mass282.05
IUPAC Name2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
SMILESCCc1ccc(C(=O)COc2ccc(F)cc2F)s1
InChIInChI=1S/C14H12F2O2S/c1-2-10-4-6-14(19-10)12(17)8-18-13-5-3-9(15)7-11(13)16/h3-7H,2,8H2,1H3
InChIKeyGTVVSVFAVOESQP-UHFFFAOYSA-N
XLogP3.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-1-(5-ethylthiophen-2-yl)ethanone
CID 43224827
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376823
2-(2,4-difluorophenoxy)-1-(2,4-dimethoxyphenyl)ethanone
CID 78790506
1-(5-ethylthiophen-2-yl)-2-(2-methyl-5-propan-2-ylphenoxy)ethanone
CID 63567064
1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799450
N-[[5-[2-(5-fluoro-2-nitrophenoxy)acetyl]thiophen-2-yl]methyl]acetamide
CID 8520584
2-(2,4-difluorophenoxy)-N'-methylacetohydrazide
CID 116820700
2-(2,4-difluorophenoxy)-1-(2,4-dihydroxy-5-methylphenyl)ethanone
CID 118401895
5-[[2-(2,4-difluorophenoxy)acetyl]amino]thiophene-2-carboxylic acid
CID 43474397

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
The IUPAC name of 2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone (CID 43222190) is 2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
The canonical SMILES for 2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone is CCc1ccc(C(=O)COc2ccc(F)cc2F)s1.
What is the InChIKey of 2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
The InChIKey is GTVVSVFAVOESQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2O2S/c1-2-10-4-6-14(19-10)12(17)8-18-13-5-3-9(15)7-11(13)16/h3-7H,2,8H2,1H3.
What are the key properties of 2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone?
2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone has a molecular weight of 282.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone is sourced from PubChem (CID 43222190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).