2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid

C7H10F3NO4S — CID 103773365

IUPAC2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(CN1CCCS1(=O)=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c8-7(9,10)5(6(12)13)4-11-2-1-3-16(11,14)15/h5H,1-4H2,(H,12,13)
InChIKeyLBWQULPQOMFFMV-UHFFFAOYSA-N
MW261.22 g/mol
LogP0.28
Rot. Bonds3

About 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid

2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 103773365) has the molecular formula C7H10F3NO4S and a molecular weight of 261.22 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid
PubChem CID103773365
Molecular FormulaC7H10F3NO4S
Molecular Weight261.22 g/mol
Exact Mass261.03
IUPAC Name2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(CN1CCCS1(=O)=O)C(F)(F)F
InChIInChI=1S/C7H10F3NO4S/c8-7(9,10)5(6(12)13)4-11-2-1-3-16(11,14)15/h5H,1-4H2,(H,12,13)
InChIKeyLBWQULPQOMFFMV-UHFFFAOYSA-N
XLogP0.28
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.22
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic 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

2-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 54947862
3-[2-Methylpropyl(2,2,2-trifluoroethyl)sulfamoyl]propanoic acid
CID 55028962
3-[Difluoromethylsulfonyl(methyl)amino]-2-methylpropanoic acid
CID 61599049
3-[Ethyl(trifluoromethylsulfonyl)amino]-2-methylpropanoic acid
CID 62826693
3-[Difluoromethylsulfonyl(ethyl)amino]-2-methylpropanoic acid
CID 62828108
3-[Ethyl(4,4,4-trifluorobutylsulfonyl)amino]-2-methylpropanoic acid
CID 83068401
1-(4,4,4-Trifluorobutylsulfonyl)pyrrolidine-3-carboxylic acid
CID 83068475
3-[Methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoic acid
CID 83068541
3-[Ethyl(4,4,4-trifluorobutylsulfonyl)amino]propanoic acid
CID 83068613
2-Methyl-3-[methyl(4,4,4-trifluorobutylsulfonyl)amino]propanoic acid
CID 83068691
1-(4,4,4-Trifluorobutylsulfonyl)azetidine-3-carboxylic acid
CID 83068769
1-(3-Fluoropropylsulfonyl)pyrrolidine-3-carboxylic acid
CID 120082977

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid (CID 103773365) is 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid is O=C(O)C(CN1CCCS1(=O)=O)C(F)(F)F.
What is the InChIKey of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is LBWQULPQOMFFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO4S/c8-7(9,10)5(6(12)13)4-11-2-1-3-16(11,14)15/h5H,1-4H2,(H,12,13).
What are the key properties of 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid?
2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 261.22 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,2-thiazolidin-2-yl)methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 103773365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).