2-(trifluoromethylsulfonylamino)propyl propanoate

C7H12F3NO4S — CID 90142801

IUPAC2-(trifluoromethylsulfonylamino)propyl propanoate
SMILESCCC(=O)OCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-3-6(12)15-4-5(2)11-16(13,14)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyCDGSOZDDKSKBBI-UHFFFAOYSA-N
MW263.24 g/mol
LogP0.77
Rot. Bonds5

About 2-(trifluoromethylsulfonylamino)propyl propanoate

2-(trifluoromethylsulfonylamino)propyl propanoate (PubChem CID 90142801) has the molecular formula C7H12F3NO4S and a molecular weight of 263.24 g/mol. Its IUPAC name is 2-(trifluoromethylsulfonylamino)propyl propanoate.

Molecular Properties

Compound Name2-(trifluoromethylsulfonylamino)propyl propanoate
PubChem CID90142801
Molecular FormulaC7H12F3NO4S
Molecular Weight263.24 g/mol
Exact Mass263.04
IUPAC Name2-(trifluoromethylsulfonylamino)propyl propanoate
SMILESCCC(=O)OCC(C)NS(=O)(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO4S/c1-3-6(12)15-4-5(2)11-16(13,14)7(8,9)10/h5,11H,3-4H2,1-2H3
InChIKeyCDGSOZDDKSKBBI-UHFFFAOYSA-N
XLogP0.77
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethylsulfonylamino)propyl propanoate?
The IUPAC name of 2-(trifluoromethylsulfonylamino)propyl propanoate (CID 90142801) is 2-(trifluoromethylsulfonylamino)propyl propanoate.
What is the SMILES notation for 2-(trifluoromethylsulfonylamino)propyl propanoate?
The canonical SMILES for 2-(trifluoromethylsulfonylamino)propyl propanoate is CCC(=O)OCC(C)NS(=O)(=O)C(F)(F)F.
What is the InChIKey of 2-(trifluoromethylsulfonylamino)propyl propanoate?
The InChIKey is CDGSOZDDKSKBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO4S/c1-3-6(12)15-4-5(2)11-16(13,14)7(8,9)10/h5,11H,3-4H2,1-2H3.
What are the key properties of 2-(trifluoromethylsulfonylamino)propyl propanoate?
2-(trifluoromethylsulfonylamino)propyl propanoate has a molecular weight of 263.24 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfonylamino)propyl propanoate is sourced from PubChem (CID 90142801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).