2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide

C7H6F3NO4 — CID 10059532

IUPAC2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide
SMILESC[C@@H]1C(=O)OC(=O)[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C7H6F3NO4/c1-2-3(5(13)15-4(2)12)11-6(14)7(8,9)10/h2-3H,1H3,(H,11,14)/t2-,3-/m0/s1
InChIKeyWBHYJFORNZDYCL-HRFVKAFMSA-N
MW225.12 g/mol
LogP-0.25
Rot. Bonds1

About 2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide

2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide (PubChem CID 10059532) has the molecular formula C7H6F3NO4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide
PubChem CID10059532
Molecular FormulaC7H6F3NO4
Molecular Weight225.12 g/mol
Exact Mass225.02
IUPAC Name2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide
SMILESC[C@@H]1C(=O)OC(=O)[C@H]1NC(=O)C(F)(F)F
InChIInChI=1S/C7H6F3NO4/c1-2-3(5(13)15-4(2)12)11-6(14)7(8,9)10/h2-3H,1H3,(H,11,14)/t2-,3-/m0/s1
InChIKeyWBHYJFORNZDYCL-HRFVKAFMSA-N
XLogP-0.25
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]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-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide (CID 10059532) is 2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide is C[C@@H]1C(=O)OC(=O)[C@H]1NC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide?
The InChIKey is WBHYJFORNZDYCL-HRFVKAFMSA-N. The full InChI is InChI=1S/C7H6F3NO4/c1-2-3(5(13)15-4(2)12)11-6(14)7(8,9)10/h2-3H,1H3,(H,11,14)/t2-,3-/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide?
2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide has a molecular weight of 225.12 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(3S,4S)-4-methyl-2,5-dioxooxolan-3-yl]acetamide is sourced from PubChem (CID 10059532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).