3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid

C5H8F3NO4S — CID 79792041

IUPAC3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid
SMILESCC(NS(C)(=O)=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c1-4(3(10)11,5(6,7)8)9-14(2,12)13/h9H,1-2H3,(H,10,11)
InChIKeyVRECPRUWKOPLHD-UHFFFAOYSA-N
MW235.18 g/mol
LogP-0.06
Rot. Bonds3

About 3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid

3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid (PubChem CID 79792041) has the molecular formula C5H8F3NO4S and a molecular weight of 235.18 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid
PubChem CID79792041
Molecular FormulaC5H8F3NO4S
Molecular Weight235.18 g/mol
Exact Mass235.01
IUPAC Name3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid
SMILESCC(NS(C)(=O)=O)(C(=O)O)C(F)(F)F
InChIInChI=1S/C5H8F3NO4S/c1-4(3(10)11,5(6,7)8)9-14(2,12)13/h9H,1-2H3,(H,10,11)
InChIKeyVRECPRUWKOPLHD-UHFFFAOYSA-N
XLogP-0.06
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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 3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic 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 3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid?
The IUPAC name of 3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid (CID 79792041) is 3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid.
What is the SMILES notation for 3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid?
The canonical SMILES for 3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid is CC(NS(C)(=O)=O)(C(=O)O)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid?
The InChIKey is VRECPRUWKOPLHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO4S/c1-4(3(10)11,5(6,7)8)9-14(2,12)13/h9H,1-2H3,(H,10,11).
What are the key properties of 3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid?
3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid has a molecular weight of 235.18 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(methanesulfonamido)-2-methylpropanoic acid is sourced from PubChem (CID 79792041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).