3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one

C13H12FNOS — CID 580120

IUPAC3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCNc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H12FNOS/c14-10-3-5-11(6-4-10)15-8-7-12(16)13-2-1-9-17-13/h1-6,9,15H,7-8H2
InChIKeyUEBSDFHYZCBVFE-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.57
Rot. Bonds5

About 3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one

3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one (PubChem CID 580120) has the molecular formula C13H12FNOS and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one
PubChem CID580120
Molecular FormulaC13H12FNOS
Molecular Weight249.31 g/mol
Exact Mass249.06
IUPAC Name3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one
SMILESO=C(CCNc1ccc(F)cc1)c1cccs1
InChIInChI=1S/C13H12FNOS/c14-10-3-5-11(6-4-10)15-8-7-12(16)13-2-1-9-17-13/h1-6,9,15H,7-8H2
InChIKeyUEBSDFHYZCBVFE-UHFFFAOYSA-N
XLogP3.57
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one (CID 580120) is 3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one is O=C(CCNc1ccc(F)cc1)c1cccs1.
What is the InChIKey of 3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one?
The InChIKey is UEBSDFHYZCBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNOS/c14-10-3-5-11(6-4-10)15-8-7-12(16)13-2-1-9-17-13/h1-6,9,15H,7-8H2.
What are the key properties of 3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one?
3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one has a molecular weight of 249.31 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoroanilino)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 580120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).