1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone

C9H10FNOS — CID 144886285

IUPAC1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone
SMILESCSc1cc(N)cc(F)c1C(C)=O
InChIInChI=1S/C9H10FNOS/c1-5(12)9-7(10)3-6(11)4-8(9)13-2/h3-4H,11H2,1-2H3
InChIKeyYQSAXJJOBKTGDO-UHFFFAOYSA-N
MW199.25 g/mol
LogP2.33
Rot. Bonds2

About 1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone

1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone (PubChem CID 144886285) has the molecular formula C9H10FNOS and a molecular weight of 199.25 g/mol. Its IUPAC name is 1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone.

Molecular Properties

Compound Name1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone
PubChem CID144886285
Molecular FormulaC9H10FNOS
Molecular Weight199.25 g/mol
Exact Mass199.05
IUPAC Name1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone
SMILESCSc1cc(N)cc(F)c1C(C)=O
InChIInChI=1S/C9H10FNOS/c1-5(12)9-7(10)3-6(11)4-8(9)13-2/h3-4H,11H2,1-2H3
InChIKeyYQSAXJJOBKTGDO-UHFFFAOYSA-N
XLogP2.33
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone?
The IUPAC name of 1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone (CID 144886285) is 1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone.
What is the SMILES notation for 1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone?
The canonical SMILES for 1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone is CSc1cc(N)cc(F)c1C(C)=O.
What is the InChIKey of 1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone?
The InChIKey is YQSAXJJOBKTGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNOS/c1-5(12)9-7(10)3-6(11)4-8(9)13-2/h3-4H,11H2,1-2H3.
What are the key properties of 1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone?
1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone has a molecular weight of 199.25 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2-fluoro-6-methylsulfanylphenyl)ethanone is sourced from PubChem (CID 144886285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).