2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide

C8H16FNO4S — CID 89150296

IUPAC2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide
SMILESCCC(C)(C)OC(F)C(=O)NS(C)(=O)=O
InChIInChI=1S/C8H16FNO4S/c1-5-8(2,3)14-6(9)7(11)10-15(4,12)13/h6H,5H2,1-4H3,(H,10,11)
InChIKeyQQKKYPASECKKQJ-UHFFFAOYSA-N
MW241.28 g/mol
LogP0.56
Rot. Bonds5

About 2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide

2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide (PubChem CID 89150296) has the molecular formula C8H16FNO4S and a molecular weight of 241.28 g/mol. Its IUPAC name is 2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide.

Molecular Properties

Compound Name2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide
PubChem CID89150296
Molecular FormulaC8H16FNO4S
Molecular Weight241.28 g/mol
Exact Mass241.08
IUPAC Name2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide
SMILESCCC(C)(C)OC(F)C(=O)NS(C)(=O)=O
InChIInChI=1S/C8H16FNO4S/c1-5-8(2,3)14-6(9)7(11)10-15(4,12)13/h6H,5H2,1-4H3,(H,10,11)
InChIKeyQQKKYPASECKKQJ-UHFFFAOYSA-N
XLogP0.56
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide?
The IUPAC name of 2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide (CID 89150296) is 2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide.
What is the SMILES notation for 2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide?
The canonical SMILES for 2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide is CCC(C)(C)OC(F)C(=O)NS(C)(=O)=O.
What is the InChIKey of 2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide?
The InChIKey is QQKKYPASECKKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FNO4S/c1-5-8(2,3)14-6(9)7(11)10-15(4,12)13/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of 2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide?
2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide has a molecular weight of 241.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(2-methylbutan-2-yloxy)-N-methylsulfonylacetamide is sourced from PubChem (CID 89150296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).