4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione

C11H8F3NO3 — CID 137332914

IUPAC4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(Cc2ccccc2C(F)(F)F)C(=O)O1
InChIInChI=1S/C11H8F3NO3/c12-11(13,14)7-4-2-1-3-6(7)5-8-9(16)18-10(17)15-8/h1-4,8H,5H2,(H,15,17)
InChIKeyQXTGSFABJCWOQH-UHFFFAOYSA-N
MW259.18 g/mol
LogP1.88
Rot. Bonds2

About 4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione

4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione (PubChem CID 137332914) has the molecular formula C11H8F3NO3 and a molecular weight of 259.18 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione
PubChem CID137332914
Molecular FormulaC11H8F3NO3
Molecular Weight259.18 g/mol
Exact Mass259.05
IUPAC Name4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(Cc2ccccc2C(F)(F)F)C(=O)O1
InChIInChI=1S/C11H8F3NO3/c12-11(13,14)7-4-2-1-3-6(7)5-8-9(16)18-10(17)15-8/h1-4,8H,5H2,(H,15,17)
InChIKeyQXTGSFABJCWOQH-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione (CID 137332914) is 4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione is O=C1NC(Cc2ccccc2C(F)(F)F)C(=O)O1.
What is the InChIKey of 4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is QXTGSFABJCWOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3/c12-11(13,14)7-4-2-1-3-6(7)5-8-9(16)18-10(17)15-8/h1-4,8H,5H2,(H,15,17).
What are the key properties of 4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione?
4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 259.18 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 137332914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).