N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide

C6H4F3NO4 — CID 11790496

IUPACN-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C1C[C@@H](NC(=O)C(F)(F)F)C(=O)O1
InChIInChI=1S/C6H4F3NO4/c7-6(8,9)5(13)10-2-1-3(11)14-4(2)12/h2H,1H2,(H,10,13)/t2-/m1/s1
InChIKeyABTJOHYOWBAGTP-UWTATZPHSA-N
MW211.09 g/mol
LogP-0.49
Rot. Bonds1

About N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide

N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 11790496) has the molecular formula C6H4F3NO4 and a molecular weight of 211.09 g/mol. Its IUPAC name is N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide
PubChem CID11790496
Molecular FormulaC6H4F3NO4
Molecular Weight211.09 g/mol
Exact Mass211.01
IUPAC NameN-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C1C[C@@H](NC(=O)C(F)(F)F)C(=O)O1
InChIInChI=1S/C6H4F3NO4/c7-6(8,9)5(13)10-2-1-3(11)14-4(2)12/h2H,1H2,(H,10,13)/t2-/m1/s1
InChIKeyABTJOHYOWBAGTP-UWTATZPHSA-N
XLogP-0.49
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide (CID 11790496) is N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide is O=C1C[C@@H](NC(=O)C(F)(F)F)C(=O)O1.
What is the InChIKey of N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is ABTJOHYOWBAGTP-UWTATZPHSA-N. The full InChI is InChI=1S/C6H4F3NO4/c7-6(8,9)5(13)10-2-1-3(11)14-4(2)12/h2H,1H2,(H,10,13)/t2-/m1/s1.
What are the key properties of N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide?
N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 211.09 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-2,5-dioxooxolan-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 11790496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).