1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone

C13H11FO2S — CID 62034554

IUPAC1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone
SMILESO=C(COCc1cccs1)c1cccc(F)c1
InChIInChI=1S/C13H11FO2S/c14-11-4-1-3-10(7-11)13(15)9-16-8-12-5-2-6-17-12/h1-7H,8-9H2
InChIKeyCKJXKZIHAPDJHL-UHFFFAOYSA-N
MW250.29 g/mol
LogP3.29
Rot. Bonds5

About 1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone

1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone (PubChem CID 62034554) has the molecular formula C13H11FO2S and a molecular weight of 250.29 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone
PubChem CID62034554
Molecular FormulaC13H11FO2S
Molecular Weight250.29 g/mol
Exact Mass250.05
IUPAC Name1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone
SMILESO=C(COCc1cccs1)c1cccc(F)c1
InChIInChI=1S/C13H11FO2S/c14-11-4-1-3-10(7-11)13(15)9-16-8-12-5-2-6-17-12/h1-7H,8-9H2
InChIKeyCKJXKZIHAPDJHL-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluorophenyl)-2-(furan-2-ylmethoxy)ethanone
CID 62029821
1-(3-fluorophenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 43799454
2-(3,3-dimethylbutoxy)-1-(3-fluorophenyl)ethanone
CID 66234529
3-fluoro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108542051
3,3-dimethyl-1-(thiophen-2-ylmethoxy)butan-2-one
CID 62034187
[2-(3-fluorophenyl)-2-oxoethyl] 2-[[2-(thiophene-2-carbonylamino)acetyl]amino]acetate
CID 8677246
ethyl 2-(thiophen-2-ylmethoxy)acetate
CID 60730801
4-fluoro-3-(thiophen-2-ylmethoxymethyl)benzoic acid
CID 63073470
1-(3-fluorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)ethanone
CID 103603982
[2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 3-fluorobenzoate
CID 8868542
[2-(3-fluorophenyl)-2-oxoethyl] 2-hydroxy-2,2-diphenylacetate
CID 8675820
1-(3-fluorophenyl)-2-(2-methylbutan-2-yloxy)ethanone
CID 43800565

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone?
The IUPAC name of 1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone (CID 62034554) is 1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone.
What is the SMILES notation for 1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone?
The canonical SMILES for 1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone is O=C(COCc1cccs1)c1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone?
The InChIKey is CKJXKZIHAPDJHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FO2S/c14-11-4-1-3-10(7-11)13(15)9-16-8-12-5-2-6-17-12/h1-7H,8-9H2.
What are the key properties of 1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone?
1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone has a molecular weight of 250.29 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2-(thiophen-2-ylmethoxy)ethanone is sourced from PubChem (CID 62034554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).