2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate

C8H14F3NO4S — CID 90142804

IUPAC2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate
SMILESCC(COC(=O)C(C)C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c1-5(2)7(13)16-4-6(3)12-17(14,15)8(9,10)11/h5-6,12H,4H2,1-3H3
InChIKeyMUVQMYIYSKHLNV-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.01
Rot. Bonds5

About 2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate

2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate (PubChem CID 90142804) has the molecular formula C8H14F3NO4S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate
PubChem CID90142804
Molecular FormulaC8H14F3NO4S
Molecular Weight277.26 g/mol
Exact Mass277.06
IUPAC Name2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate
SMILESCC(COC(=O)C(C)C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C8H14F3NO4S/c1-5(2)7(13)16-4-6(3)12-17(14,15)8(9,10)11/h5-6,12H,4H2,1-3H3
InChIKeyMUVQMYIYSKHLNV-UHFFFAOYSA-N
XLogP1.01
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate?
The IUPAC name of 2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate (CID 90142804) is 2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate.
What is the SMILES notation for 2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate?
The canonical SMILES for 2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate is CC(COC(=O)C(C)C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate?
The InChIKey is MUVQMYIYSKHLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO4S/c1-5(2)7(13)16-4-6(3)12-17(14,15)8(9,10)11/h5-6,12H,4H2,1-3H3.
What are the key properties of 2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate?
2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate has a molecular weight of 277.26 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonylamino)propyl 2-methylpropanoate is sourced from PubChem (CID 90142804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).