2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone

C9H10FNOS — CID 22462181

IUPAC2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(F)cc1C(=O)CN
InChIInChI=1S/C9H10FNOS/c1-13-9-3-2-6(10)4-7(9)8(12)5-11/h2-4H,5,11H2,1H3
InChIKeyBGJWPEIRTQYTKV-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.69
Rot. Bonds3

About 2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone

2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone (PubChem CID 22462181) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone
PubChem CID22462181
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone
SMILESCSc1ccc(F)cc1C(=O)CN
InChIInChI=1S/C9H10FNOS/c1-13-9-3-2-6(10)4-7(9)8(12)5-11/h2-4H,5,11H2,1H3
InChIKeyBGJWPEIRTQYTKV-UHFFFAOYSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone?
The IUPAC name of 2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone (CID 22462181) is 2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone is CSc1ccc(F)cc1C(=O)CN.
What is the InChIKey of 2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone?
The InChIKey is BGJWPEIRTQYTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-13-9-3-2-6(10)4-7(9)8(12)5-11/h2-4H,5,11H2,1H3.
What are the key properties of 2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone?
2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone has a molecular weight of 199.25 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-fluoro-2-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 22462181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).