4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione

C4H2F3NO3 — CID 169180999

IUPAC4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(C(F)(F)F)C(=O)O1
InChIInChI=1S/C4H2F3NO3/c5-4(6,7)1-2(9)11-3(10)8-1/h1H,(H,8,10)
InChIKeyDCAAHHSMMZDLEC-UHFFFAOYSA-N
MW169.06 g/mol
LogP0.18
Rot. Bonds

About 4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione

4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione (PubChem CID 169180999) has the molecular formula C4H2F3NO3 and a molecular weight of 169.06 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione
PubChem CID169180999
Molecular FormulaC4H2F3NO3
Molecular Weight169.06 g/mol
Exact Mass169.00
IUPAC Name4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione
SMILESO=C1NC(C(F)(F)F)C(=O)O1
InChIInChI=1S/C4H2F3NO3/c5-4(6,7)1-2(9)11-3(10)8-1/h1H,(H,8,10)
InChIKeyDCAAHHSMMZDLEC-UHFFFAOYSA-N
XLogP0.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.06
LogP ≤ 50.18
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-(trifluoromethyl)-1,3-oxazolidine-2,5-dione?
The IUPAC name of 4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione (CID 169180999) is 4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for 4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione?
The canonical SMILES for 4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione is O=C1NC(C(F)(F)F)C(=O)O1.
What is the InChIKey of 4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione?
The InChIKey is DCAAHHSMMZDLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F3NO3/c5-4(6,7)1-2(9)11-3(10)8-1/h1H,(H,8,10).
What are the key properties of 4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione?
4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione has a molecular weight of 169.06 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 169180999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).