2,2,2-trifluoro-N-propylsulfonylacetamide

C5H8F3NO3S — CID 89381662

IUPAC2,2,2-trifluoro-N-propylsulfonylacetamide
SMILESCCCS(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c1-2-3-13(11,12)9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyQTDCIOXECDEQSE-UHFFFAOYSA-N
MW219.18 g/mol
LogP0.40
Rot. Bonds3

About 2,2,2-trifluoro-N-propylsulfonylacetamide

2,2,2-trifluoro-N-propylsulfonylacetamide (PubChem CID 89381662) has the molecular formula C5H8F3NO3S and a molecular weight of 219.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-propylsulfonylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-propylsulfonylacetamide
PubChem CID89381662
Molecular FormulaC5H8F3NO3S
Molecular Weight219.18 g/mol
Exact Mass219.02
IUPAC Name2,2,2-trifluoro-N-propylsulfonylacetamide
SMILESCCCS(=O)(=O)NC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c1-2-3-13(11,12)9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyQTDCIOXECDEQSE-UHFFFAOYSA-N
XLogP0.40
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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-propylsulfonylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-propylsulfonylacetamide (CID 89381662) is 2,2,2-trifluoro-N-propylsulfonylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-propylsulfonylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-propylsulfonylacetamide is CCCS(=O)(=O)NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-propylsulfonylacetamide?
The InChIKey is QTDCIOXECDEQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3S/c1-2-3-13(11,12)9-4(10)5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-propylsulfonylacetamide?
2,2,2-trifluoro-N-propylsulfonylacetamide has a molecular weight of 219.18 g/mol, XLogP of 0.40, 3 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-propylsulfonylacetamide is sourced from PubChem (CID 89381662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).