(3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate

C11H16F3NO6S — CID 155170717

IUPAC(3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate
SMILESCCC1(COC(=O)CCC(=O)NS(=O)(=O)C(F)(F)F)COC1
InChIInChI=1S/C11H16F3NO6S/c1-2-10(5-20-6-10)7-21-9(17)4-3-8(16)15-22(18,19)11(12,13)14/h2-7H2,1H3,(H,15,16)
InChIKeySKWUIMRIUGJHIT-UHFFFAOYSA-N
MW347.31 g/mol
LogP0.70
Rot. Bonds7

About (3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate

(3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate (PubChem CID 155170717) has the molecular formula C11H16F3NO6S and a molecular weight of 347.31 g/mol. Its IUPAC name is (3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate.

Molecular Properties

Compound Name(3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate
PubChem CID155170717
Molecular FormulaC11H16F3NO6S
Molecular Weight347.31 g/mol
Exact Mass347.07
IUPAC Name(3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate
SMILESCCC1(COC(=O)CCC(=O)NS(=O)(=O)C(F)(F)F)COC1
InChIInChI=1S/C11H16F3NO6S/c1-2-10(5-20-6-10)7-21-9(17)4-3-8(16)15-22(18,19)11(12,13)14/h2-7H2,1H3,(H,15,16)
InChIKeySKWUIMRIUGJHIT-UHFFFAOYSA-N
XLogP0.70
TPSA98.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate?
The IUPAC name of (3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate (CID 155170717) is (3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate.
What is the SMILES notation for (3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate?
The canonical SMILES for (3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate is CCC1(COC(=O)CCC(=O)NS(=O)(=O)C(F)(F)F)COC1.
What is the InChIKey of (3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate?
The InChIKey is SKWUIMRIUGJHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO6S/c1-2-10(5-20-6-10)7-21-9(17)4-3-8(16)15-22(18,19)11(12,13)14/h2-7H2,1H3,(H,15,16).
What are the key properties of (3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate?
(3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate has a molecular weight of 347.31 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyloxetan-3-yl)methyl 4-oxo-4-(trifluoromethylsulfonylamino)butanoate is sourced from PubChem (CID 155170717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).