2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide

C5H8F3NO3S — CID 138725698

IUPAC2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c1-3(2)13(11,12)9-4(10)5(6,7)8/h3H,1-2H3,(H,9,10)
InChIKeyXNHRDCRDHSNJNY-UHFFFAOYSA-N
MW219.18 g/mol
LogP0.40
Rot. Bonds2

About 2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide

2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide (PubChem CID 138725698) has the molecular formula C5H8F3NO3S and a molecular weight of 219.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide
PubChem CID138725698
Molecular FormulaC5H8F3NO3S
Molecular Weight219.18 g/mol
Exact Mass219.02
IUPAC Name2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide
SMILESCC(C)S(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c1-3(2)13(11,12)9-4(10)5(6,7)8/h3H,1-2H3,(H,9,10)
InChIKeyXNHRDCRDHSNJNY-UHFFFAOYSA-N
XLogP0.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide (CID 138725698) is 2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide is CC(C)S(=O)(=O)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide?
The InChIKey is XNHRDCRDHSNJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3S/c1-3(2)13(11,12)9-4(10)5(6,7)8/h3H,1-2H3,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide?
2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide has a molecular weight of 219.18 g/mol, XLogP of 0.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-propan-2-ylsulfonylacetamide is sourced from PubChem (CID 138725698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).