2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide

C7H10F4N2OS — CID 89069321

IUPAC2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide
SMILESO=C(NC[C@@H]1CSCN1CF)C(F)(F)F
InChIInChI=1S/C7H10F4N2OS/c8-3-13-4-15-2-5(13)1-12-6(14)7(9,10)11/h5H,1-4H2,(H,12,14)/t5-/m1/s1
InChIKeyFMHRGBOPQMANFP-RXMQYKEDSA-N
MW246.23 g/mol
LogP0.97
Rot. Bonds3

About 2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide (PubChem CID 89069321) has the molecular formula C7H10F4N2OS and a molecular weight of 246.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide
PubChem CID89069321
Molecular FormulaC7H10F4N2OS
Molecular Weight246.23 g/mol
Exact Mass246.04
IUPAC Name2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide
SMILESO=C(NC[C@@H]1CSCN1CF)C(F)(F)F
InChIInChI=1S/C7H10F4N2OS/c8-3-13-4-15-2-5(13)1-12-6(14)7(9,10)11/h5H,1-4H2,(H,12,14)/t5-/m1/s1
InChIKeyFMHRGBOPQMANFP-RXMQYKEDSA-N
XLogP0.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]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 2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide (CID 89069321) is 2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide is O=C(NC[C@@H]1CSCN1CF)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide?
The InChIKey is FMHRGBOPQMANFP-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H10F4N2OS/c8-3-13-4-15-2-5(13)1-12-6(14)7(9,10)11/h5H,1-4H2,(H,12,14)/t5-/m1/s1.
What are the key properties of 2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide has a molecular weight of 246.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[(4R)-3-(fluoromethyl)-1,3-thiazolidin-4-yl]methyl]acetamide is sourced from PubChem (CID 89069321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).