[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate

C11H11F2NO3S — CID 2387371

IUPAC[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C11H11F2NO3S/c1-7(15)17-6-10(16)14-8-2-4-9(5-3-8)18-11(12)13/h2-5,11H,6H2,1H3,(H,14,16)
InChIKeyGTYSFXMPOIILKO-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.50
Rot. Bonds5

About [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate

[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate (PubChem CID 2387371) has the molecular formula C11H11F2NO3S and a molecular weight of 275.28 g/mol. Its IUPAC name is [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate.

Molecular Properties

Compound Name[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate
PubChem CID2387371
Molecular FormulaC11H11F2NO3S
Molecular Weight275.28 g/mol
Exact Mass275.04
IUPAC Name[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate
SMILESCC(=O)OCC(=O)Nc1ccc(SC(F)F)cc1
InChIInChI=1S/C11H11F2NO3S/c1-7(15)17-6-10(16)14-8-2-4-9(5-3-8)18-11(12)13/h2-5,11H,6H2,1H3,(H,14,16)
InChIKeyGTYSFXMPOIILKO-UHFFFAOYSA-N
XLogP2.50
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,4-Difluoroanilino)-2-oxoethyl] 2-phenylsulfanylacetate
CID 2616604
Acetoxyacetanilide
CID 247117
N-[4-(difluoromethylsulfanyl)phenyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 2314696
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 4-oxopentanoate
CID 2360457
[2-(2,5-Difluoroanilino)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2381508
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] pentanoate
CID 2449742
[2-[4-(Difluoromethylsulfanyl)anilino]-2-oxoethyl] 3-methylbut-2-enoate
CID 2093832
(2-Anilino-2-oxoethyl) 3-phenylsulfanylpropanoate
CID 2382834
2-ethoxy-N-[3-(methylsulfanyl)phenyl]acetamide
CID 1731950
[2-Oxo-2-(2-phenylsulfanylanilino)ethyl] butanoate
CID 2128135
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] (E)-but-2-enoate
CID 6367339
N-[4-(Trifluoromethylthio)phenyl]acetamide
CID 880910

Frequently Asked Questions

What is the IUPAC name of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate?
The IUPAC name of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate (CID 2387371) is [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate.
What is the SMILES notation for [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate?
The canonical SMILES for [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate is CC(=O)OCC(=O)Nc1ccc(SC(F)F)cc1.
What is the InChIKey of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate?
The InChIKey is GTYSFXMPOIILKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO3S/c1-7(15)17-6-10(16)14-8-2-4-9(5-3-8)18-11(12)13/h2-5,11H,6H2,1H3,(H,14,16).
What are the key properties of [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate?
[2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate has a molecular weight of 275.28 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(difluoromethylsulfanyl)anilino]-2-oxoethyl] acetate is sourced from PubChem (CID 2387371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).