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

C17H12FNOS — CID 118903774

IUPAC1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone
SMILESCC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H12FNOS/c1-11(20)16-10-15(12-6-8-19-9-7-12)17(21-16)13-2-4-14(18)5-3-13/h2-10H,1H3
InChIKeyVIPPSJYKHUWHBS-UHFFFAOYSA-N
MW297.35 g/mol
LogP4.82
Rot. Bonds3

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

1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone (PubChem CID 118903774) has the molecular formula C17H12FNOS and a molecular weight of 297.35 g/mol. Its IUPAC name is 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone
PubChem CID118903774
Molecular FormulaC17H12FNOS
Molecular Weight297.35 g/mol
Exact Mass297.06
IUPAC Name1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone
SMILESCC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1
InChIInChI=1S/C17H12FNOS/c1-11(20)16-10-15(12-6-8-19-9-7-12)17(21-16)13-2-4-14(18)5-3-13/h2-10H,1H3
InChIKeyVIPPSJYKHUWHBS-UHFFFAOYSA-N
XLogP4.82
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone?
The IUPAC name of 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone (CID 118903774) is 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone.
What is the SMILES notation for 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone?
The canonical SMILES for 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone is CC(=O)c1cc(-c2ccncc2)c(-c2ccc(F)cc2)s1.
What is the InChIKey of 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone?
The InChIKey is VIPPSJYKHUWHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12FNOS/c1-11(20)16-10-15(12-6-8-19-9-7-12)17(21-16)13-2-4-14(18)5-3-13/h2-10H,1H3.
What are the key properties of 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone?
1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone has a molecular weight of 297.35 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]ethanone is sourced from PubChem (CID 118903774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).