tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate

C10H10F3NO4 — CID 134892147

IUPACtert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(=O)oc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3NO4/c1-9(2,3)18-7(16)5-4-6(15)17-8(14-5)10(11,12)13/h4H,1-3H3
InChIKeyITDIWARAXMKSBV-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.01
Rot. Bonds1

About tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate

tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate (PubChem CID 134892147) has the molecular formula C10H10F3NO4 and a molecular weight of 265.19 g/mol. Its IUPAC name is tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate
PubChem CID134892147
Molecular FormulaC10H10F3NO4
Molecular Weight265.19 g/mol
Exact Mass265.06
IUPAC Nametert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate
SMILESCC(C)(C)OC(=O)c1cc(=O)oc(C(F)(F)F)n1
InChIInChI=1S/C10H10F3NO4/c1-9(2,3)18-7(16)5-4-6(15)17-8(14-5)10(11,12)13/h4H,1-3H3
InChIKeyITDIWARAXMKSBV-UHFFFAOYSA-N
XLogP2.01
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate?
The IUPAC name of tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate (CID 134892147) is tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate is CC(C)(C)OC(=O)c1cc(=O)oc(C(F)(F)F)n1.
What is the InChIKey of tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate?
The InChIKey is ITDIWARAXMKSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO4/c1-9(2,3)18-7(16)5-4-6(15)17-8(14-5)10(11,12)13/h4H,1-3H3.
What are the key properties of tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate?
tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate has a molecular weight of 265.19 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-oxo-2-(trifluoromethyl)-1,3-oxazine-4-carboxylate is sourced from PubChem (CID 134892147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).