2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone

C10H12FNO2S — CID 117330394

IUPAC2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)c(F)c1SC
InChIInChI=1S/C10H12FNO2S/c1-14-8-4-3-6(7(13)5-12)9(11)10(8)15-2/h3-4H,5,12H2,1-2H3
InChIKeyJCVGVTGNQIJAKK-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.70
Rot. Bonds4

About 2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone

2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone (PubChem CID 117330394) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone
PubChem CID117330394
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)c(F)c1SC
InChIInChI=1S/C10H12FNO2S/c1-14-8-4-3-6(7(13)5-12)9(11)10(8)15-2/h3-4H,5,12H2,1-2H3
InChIKeyJCVGVTGNQIJAKK-UHFFFAOYSA-N
XLogP1.70
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone (CID 117330394) is 2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone is COc1ccc(C(=O)CN)c(F)c1SC.
What is the InChIKey of 2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone?
The InChIKey is JCVGVTGNQIJAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2S/c1-14-8-4-3-6(7(13)5-12)9(11)10(8)15-2/h3-4H,5,12H2,1-2H3.
What are the key properties of 2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone?
2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone has a molecular weight of 229.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-fluoro-4-methoxy-3-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 117330394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).