2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid

C5H8F3NO4S — CID 61454225

IUPAC2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c1-3(4(10)11)14(12,13)9-2-5(6,7)8/h3,9H,2H2,1H3,(H,10,11)
InChIKeyITNHTJNTFQUYHQ-UHFFFAOYSA-N
MW235.18 g/mol
LogP-0.06
Rot. Bonds4

About 2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid

2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid (PubChem CID 61454225) has the molecular formula C5H8F3NO4S and a molecular weight of 235.18 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
PubChem CID61454225
Molecular FormulaC5H8F3NO4S
Molecular Weight235.18 g/mol
Exact Mass235.01
IUPAC Name2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid
SMILESCC(C(=O)O)S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c1-3(4(10)11)14(12,13)9-2-5(6,7)8/h3,9H,2H2,1H3,(H,10,11)
InChIKeyITNHTJNTFQUYHQ-UHFFFAOYSA-N
XLogP-0.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid 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-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
The IUPAC name of 2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid (CID 61454225) is 2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid.
What is the SMILES notation for 2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
The canonical SMILES for 2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid is CC(C(=O)O)S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
The InChIKey is ITNHTJNTFQUYHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO4S/c1-3(4(10)11)14(12,13)9-2-5(6,7)8/h3,9H,2H2,1H3,(H,10,11).
What are the key properties of 2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid?
2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid has a molecular weight of 235.18 g/mol, XLogP of -0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethylsulfamoyl)propanoic acid is sourced from PubChem (CID 61454225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).