N-(3,3,3-trifluoropropylsulfonyl)acetamide

C5H8F3NO3S — CID 154512367

IUPACN-(3,3,3-trifluoropropylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c1-4(10)9-13(11,12)3-2-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyZUNOUXKGJHRJCK-UHFFFAOYSA-N
MW219.18 g/mol
LogP0.40
Rot. Bonds3

About N-(3,3,3-trifluoropropylsulfonyl)acetamide

N-(3,3,3-trifluoropropylsulfonyl)acetamide (PubChem CID 154512367) has the molecular formula C5H8F3NO3S and a molecular weight of 219.18 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropylsulfonyl)acetamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropylsulfonyl)acetamide
PubChem CID154512367
Molecular FormulaC5H8F3NO3S
Molecular Weight219.18 g/mol
Exact Mass219.02
IUPAC NameN-(3,3,3-trifluoropropylsulfonyl)acetamide
SMILESCC(=O)NS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C5H8F3NO3S/c1-4(10)9-13(11,12)3-2-5(6,7)8/h2-3H2,1H3,(H,9,10)
InChIKeyZUNOUXKGJHRJCK-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

Analyze N-(3,3,3-trifluoropropylsulfonyl)acetamide 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 N-(3,3,3-trifluoropropylsulfonyl)acetamide?
The IUPAC name of N-(3,3,3-trifluoropropylsulfonyl)acetamide (CID 154512367) is N-(3,3,3-trifluoropropylsulfonyl)acetamide.
What is the SMILES notation for N-(3,3,3-trifluoropropylsulfonyl)acetamide?
The canonical SMILES for N-(3,3,3-trifluoropropylsulfonyl)acetamide is CC(=O)NS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of N-(3,3,3-trifluoropropylsulfonyl)acetamide?
The InChIKey is ZUNOUXKGJHRJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO3S/c1-4(10)9-13(11,12)3-2-5(6,7)8/h2-3H2,1H3,(H,9,10).
What are the key properties of N-(3,3,3-trifluoropropylsulfonyl)acetamide?
N-(3,3,3-trifluoropropylsulfonyl)acetamide 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 N-(3,3,3-trifluoropropylsulfonyl)acetamide is sourced from PubChem (CID 154512367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).