[2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate

C10H10F5NO3S — CID 86691876

IUPAC[2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C10H10F5NO3S/c1-7(17)19-6-10(18)16-8-2-4-9(5-3-8)20(11,12,13,14)15/h2-5H,6H2,1H3,(H,16,18)
InChIKeyGGLFFYMIYZWEHK-UHFFFAOYSA-N
MW319.25 g/mol
LogP3.85
Rot. Bonds4

About [2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate

[2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate (PubChem CID 86691876) has the molecular formula C10H10F5NO3S and a molecular weight of 319.25 g/mol. Its IUPAC name is [2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate.

Molecular Properties

Compound Name[2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate
PubChem CID86691876
Molecular FormulaC10H10F5NO3S
Molecular Weight319.25 g/mol
Exact Mass319.03
IUPAC Name[2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1
InChIInChI=1S/C10H10F5NO3S/c1-7(17)19-6-10(18)16-8-2-4-9(5-3-8)20(11,12,13,14)15/h2-5H,6H2,1H3,(H,16,18)
InChIKeyGGLFFYMIYZWEHK-UHFFFAOYSA-N
XLogP3.85
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N-[4-(pentafluoro-λ6-sulfanyl)phenyl]acetamide
CID 177288026
[2-(4-acetamidoanilino)-2-oxoethyl] 4-acetamidobenzoate
CID 7654344
[2-(3-methylanilino)-2-oxoethyl] acetate
CID 531943
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029
2-[2-[4-(acetyloxymethyl)anilino]-2-oxoethoxy]ethylazanide
CID 59689046
[2-(4-iodoanilino)-2-oxoethyl] 4-oxopentanoate
CID 8626099
[2-(4-acetylanilino)-2-oxoethyl] 4-fluorobenzoate
CID 2628003
[2-(2,6-dimethylanilino)-2-oxoethyl] acetate
CID 716418
2-(4-acetamidophenoxy)-N-(4-acetamidophenyl)acetamide
CID 7203623
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
N-(4-acetamidophenyl)-2-(2-aminoethoxy)acetamide
CID 79463401

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate?
The IUPAC name of [2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate (CID 86691876) is [2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate.
What is the SMILES notation for [2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate?
The canonical SMILES for [2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate is CC(=O)OCC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1.
What is the InChIKey of [2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate?
The InChIKey is GGLFFYMIYZWEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO3S/c1-7(17)19-6-10(18)16-8-2-4-9(5-3-8)20(11,12,13,14)15/h2-5H,6H2,1H3,(H,16,18).
What are the key properties of [2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate?
[2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate has a molecular weight of 319.25 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[4-(pentafluoro-λ6-sulfanyl)anilino]ethyl] acetate is sourced from PubChem (CID 86691876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).