2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide

C7H8F3NO3 — CID 118532093

IUPAC2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide
SMILESC[C@H](NC(=O)C(F)(F)F)C(=O)C1CO1
InChIInChI=1S/C7H8F3NO3/c1-3(5(12)4-2-14-4)11-6(13)7(8,9)10/h3-4H,2H2,1H3,(H,11,13)/t3-,4?/m0/s1
InChIKeyXSLFNJDYNKBVOD-WUCPZUCCSA-N
MW211.14 g/mol
LogP0.02
Rot. Bonds3

About 2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide

2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide (PubChem CID 118532093) has the molecular formula C7H8F3NO3 and a molecular weight of 211.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide
PubChem CID118532093
Molecular FormulaC7H8F3NO3
Molecular Weight211.14 g/mol
Exact Mass211.05
IUPAC Name2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide
SMILESC[C@H](NC(=O)C(F)(F)F)C(=O)C1CO1
InChIInChI=1S/C7H8F3NO3/c1-3(5(12)4-2-14-4)11-6(13)7(8,9)10/h3-4H,2H2,1H3,(H,11,13)/t3-,4?/m0/s1
InChIKeyXSLFNJDYNKBVOD-WUCPZUCCSA-N
XLogP0.02
TPSA58.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide (CID 118532093) is 2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide is C[C@H](NC(=O)C(F)(F)F)C(=O)C1CO1.
What is the InChIKey of 2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide?
The InChIKey is XSLFNJDYNKBVOD-WUCPZUCCSA-N. The full InChI is InChI=1S/C7H8F3NO3/c1-3(5(12)4-2-14-4)11-6(13)7(8,9)10/h3-4H,2H2,1H3,(H,11,13)/t3-,4?/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide?
2,2,2-trifluoro-N-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide has a molecular weight of 211.14 g/mol, XLogP of 0.02, 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-[(2S)-1-(oxiran-2-yl)-1-oxopropan-2-yl]acetamide is sourced from PubChem (CID 118532093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).