3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one

C14H14FNOS — CID 4161553

IUPAC3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one
SMILESCc1ccc(NCCC(=O)c2cccs2)cc1F
InChIInChI=1S/C14H14FNOS/c1-10-4-5-11(9-12(10)15)16-7-6-13(17)14-3-2-8-18-14/h2-5,8-9,16H,6-7H2,1H3
InChIKeyUYAHQSZUTIMBRR-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.88
Rot. Bonds5

About 3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one

3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one (PubChem CID 4161553) has the molecular formula C14H14FNOS and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one
PubChem CID4161553
Molecular FormulaC14H14FNOS
Molecular Weight263.34 g/mol
Exact Mass263.08
IUPAC Name3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one
SMILESCc1ccc(NCCC(=O)c2cccs2)cc1F
InChIInChI=1S/C14H14FNOS/c1-10-4-5-11(9-12(10)15)16-7-6-13(17)14-3-2-8-18-14/h2-5,8-9,16H,6-7H2,1H3
InChIKeyUYAHQSZUTIMBRR-UHFFFAOYSA-N
XLogP3.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one (CID 4161553) is 3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one is Cc1ccc(NCCC(=O)c2cccs2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one?
The InChIKey is UYAHQSZUTIMBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNOS/c1-10-4-5-11(9-12(10)15)16-7-6-13(17)14-3-2-8-18-14/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one?
3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one has a molecular weight of 263.34 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylanilino)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 4161553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).