2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate

C7H11F4NO4S — CID 90142802

IUPAC2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate
SMILESCC(COC(=O)C(C)F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H11F4NO4S/c1-4(3-16-6(13)5(2)8)12-17(14,15)7(9,10)11/h4-5,12H,3H2,1-2H3
InChIKeyVIMANJKCLHETRH-UHFFFAOYSA-N
MW281.23 g/mol
LogP0.72
Rot. Bonds5

About 2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate

2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate (PubChem CID 90142802) has the molecular formula C7H11F4NO4S and a molecular weight of 281.23 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate
PubChem CID90142802
Molecular FormulaC7H11F4NO4S
Molecular Weight281.23 g/mol
Exact Mass281.03
IUPAC Name2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate
SMILESCC(COC(=O)C(C)F)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H11F4NO4S/c1-4(3-16-6(13)5(2)8)12-17(14,15)7(9,10)11/h4-5,12H,3H2,1-2H3
InChIKeyVIMANJKCLHETRH-UHFFFAOYSA-N
XLogP0.72
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate?
The IUPAC name of 2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate (CID 90142802) is 2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate.
What is the SMILES notation for 2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate?
The canonical SMILES for 2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate is CC(COC(=O)C(C)F)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate?
The InChIKey is VIMANJKCLHETRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F4NO4S/c1-4(3-16-6(13)5(2)8)12-17(14,15)7(9,10)11/h4-5,12H,3H2,1-2H3.
What are the key properties of 2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate?
2-(trifluoromethylsulfonylamino)propyl 2-fluoropropanoate has a molecular weight of 281.23 g/mol, XLogP of 0.72, 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-fluoropropanoate is sourced from PubChem (CID 90142802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).