4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid

C6H10F3NO4S — CID 28774230

IUPAC4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c7-6(8,9)4-10-15(13,14)3-1-2-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeyBIOIVYXIBYFRCC-UHFFFAOYSA-N
MW249.21 g/mol
LogP0.33
Rot. Bonds6

About 4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid

4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid (PubChem CID 28774230) has the molecular formula C6H10F3NO4S and a molecular weight of 249.21 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
PubChem CID28774230
Molecular FormulaC6H10F3NO4S
Molecular Weight249.21 g/mol
Exact Mass249.03
IUPAC Name4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
SMILESO=C(O)CCCS(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C6H10F3NO4S/c7-6(8,9)4-10-15(13,14)3-1-2-5(11)12/h10H,1-4H2,(H,11,12)
InChIKeyBIOIVYXIBYFRCC-UHFFFAOYSA-N
XLogP0.33
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
CID 87289497
2-Amino-4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid
CID 87289633
4-(2,2,2-Trifluoroethylsulfonylamino)butanoic acid
CID 120605755
2-(2,2,2-Trifluoroethylsulfonylamino)butanoic acid
CID 144230644
4-(Difluoromethylsulfonylamino)butanoic acid
CID 28606633
3-(2,2,2-Trifluoroethylsulfamoyl)propanoic acid
CID 28774228
2-(2,2,2-Trifluoroethylsulfamoyl)acetic acid
CID 28774232
4-[Methyl(2,2,2-trifluoroethyl)sulfamoyl]butanoic acid
CID 60891738
2-(2,2,2-Trifluoroethylsulfamoyl)propanoic acid
CID 61454225
Methyl 4-(2,2,2-trifluoroethylsulfamoyl)butanoate
CID 61460318
2-(3,3,3-Trifluoropropylsulfamoyl)propanoic acid
CID 63226128
4-(3,3,3-Trifluoropropylsulfamoyl)butanoic acid
CID 63226428

Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid?
The IUPAC name of 4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid (CID 28774230) is 4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid.
What is the SMILES notation for 4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid?
The canonical SMILES for 4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid is O=C(O)CCCS(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid?
The InChIKey is BIOIVYXIBYFRCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO4S/c7-6(8,9)4-10-15(13,14)3-1-2-5(11)12/h10H,1-4H2,(H,11,12).
What are the key properties of 4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid?
4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid has a molecular weight of 249.21 g/mol, XLogP of 0.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethylsulfamoyl)butanoic acid is sourced from PubChem (CID 28774230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).