1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone

C14H13FO2S — CID 43612242

IUPAC1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
SMILESCCc1ccc(C(=O)COc2ccc(F)cc2)s1
InChIInChI=1S/C14H13FO2S/c1-2-12-7-8-14(18-12)13(16)9-17-11-5-3-10(15)4-6-11/h3-8H,2,9H2,1H3
InChIKeyGBFDSTUCIMFIHD-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.71
Rot. Bonds5

About 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone

1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone (PubChem CID 43612242) has the molecular formula C14H13FO2S and a molecular weight of 264.32 g/mol. Its IUPAC name is 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone.

Molecular Properties

Compound Name1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
PubChem CID43612242
Molecular FormulaC14H13FO2S
Molecular Weight264.32 g/mol
Exact Mass264.06
IUPAC Name1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone
SMILESCCc1ccc(C(=O)COc2ccc(F)cc2)s1
InChIInChI=1S/C14H13FO2S/c1-2-12-7-8-14(18-12)13(16)9-17-11-5-3-10(15)4-6-11/h3-8H,2,9H2,1H3
InChIKeyGBFDSTUCIMFIHD-UHFFFAOYSA-N
XLogP3.71
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-ethylthiophen-2-yl)-2-(4-methoxyphenoxy)ethanone
CID 43612279
2-(2,4-difluorophenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43222190
2-(2,6-dimethoxyphenoxy)-1-(5-ethylthiophen-2-yl)ethanone
CID 43799632
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenyl)sulfanylethanone
CID 43222169
1-(5-ethylthiophen-2-yl)-2-(3-methyl-5-propan-2-ylphenoxy)ethanone
CID 63567450
1-(5-ethylthiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799450
1-(5-ethylthiophen-2-yl)-2-quinolin-7-yloxyethanone
CID 107314235
1-(5-ethylthiophen-2-yl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376823
2-(4-methylphenoxy)-1-(5-methylthiophen-2-yl)ethanone
CID 43612207
methyl 2-(4-fluorophenoxy)acetate
CID 580550
1-(5-ethylthiophen-2-yl)-2-pentoxyethanone
CID 43801255
1-(5-methylthiophen-2-yl)-2-(4-propoxyphenoxy)ethanone
CID 43612371

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone?
The IUPAC name of 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone (CID 43612242) is 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone.
What is the SMILES notation for 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone?
The canonical SMILES for 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone is CCc1ccc(C(=O)COc2ccc(F)cc2)s1.
What is the InChIKey of 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone?
The InChIKey is GBFDSTUCIMFIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FO2S/c1-2-12-7-8-14(18-12)13(16)9-17-11-5-3-10(15)4-6-11/h3-8H,2,9H2,1H3.
What are the key properties of 1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone?
1-(5-ethylthiophen-2-yl)-2-(4-fluorophenoxy)ethanone has a molecular weight of 264.32 g/mol, XLogP of 3.71, 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-(4-fluorophenoxy)ethanone is sourced from PubChem (CID 43612242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).