1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone

C17H12FNO2S — CID 18794761

IUPAC1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccncc2)sc1Oc1ccccc1F
InChIInChI=1S/C17H12FNO2S/c1-11(20)13-10-16(12-6-8-19-9-7-12)22-17(13)21-15-5-3-2-4-14(15)18/h2-10H,1H3
InChIKeyUQMQUOOJIGBKFR-UHFFFAOYSA-N
MW313.35 g/mol
LogP4.94
Rot. Bonds4

About 1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone

1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone (PubChem CID 18794761) has the molecular formula C17H12FNO2S and a molecular weight of 313.35 g/mol. Its IUPAC name is 1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone
PubChem CID18794761
Molecular FormulaC17H12FNO2S
Molecular Weight313.35 g/mol
Exact Mass313.06
IUPAC Name1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone
SMILESCC(=O)c1cc(-c2ccncc2)sc1Oc1ccccc1F
InChIInChI=1S/C17H12FNO2S/c1-11(20)13-10-16(12-6-8-19-9-7-12)22-17(13)21-15-5-3-2-4-14(15)18/h2-10H,1H3
InChIKeyUQMQUOOJIGBKFR-UHFFFAOYSA-N
XLogP4.94
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone?
The IUPAC name of 1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone (CID 18794761) is 1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone.
What is the SMILES notation for 1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone?
The canonical SMILES for 1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone is CC(=O)c1cc(-c2ccncc2)sc1Oc1ccccc1F.
What is the InChIKey of 1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone?
The InChIKey is UQMQUOOJIGBKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNO2S/c1-11(20)13-10-16(12-6-8-19-9-7-12)22-17(13)21-15-5-3-2-4-14(15)18/h2-10H,1H3.
What are the key properties of 1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone?
1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone has a molecular weight of 313.35 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluorophenoxy)-5-pyridin-4-ylthiophen-3-yl]ethanone is sourced from PubChem (CID 18794761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).