tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate

C10H15F3N2O4 — CID 89488563

IUPACtert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CON(CC(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O4/c1-9(2,3)19-8(17)14-6-4-18-15(7(6)16)5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)
InChIKeyPGUZWARTTUOMTE-UHFFFAOYSA-N
MW284.23 g/mol
LogP1.22
Rot. Bonds2

About tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate

tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate (PubChem CID 89488563) has the molecular formula C10H15F3N2O4 and a molecular weight of 284.23 g/mol. Its IUPAC name is tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate
PubChem CID89488563
Molecular FormulaC10H15F3N2O4
Molecular Weight284.23 g/mol
Exact Mass284.10
IUPAC Nametert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CON(CC(F)(F)F)C1=O
InChIInChI=1S/C10H15F3N2O4/c1-9(2,3)19-8(17)14-6-4-18-15(7(6)16)5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17)
InChIKeyPGUZWARTTUOMTE-UHFFFAOYSA-N
XLogP1.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.23
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate (CID 89488563) is tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CON(CC(F)(F)F)C1=O.
What is the InChIKey of tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate?
The InChIKey is PGUZWARTTUOMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O4/c1-9(2,3)19-8(17)14-6-4-18-15(7(6)16)5-10(11,12)13/h6H,4-5H2,1-3H3,(H,14,17).
What are the key properties of tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate?
tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate has a molecular weight of 284.23 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-oxo-2-(2,2,2-trifluoroethyl)-1,2-oxazolidin-4-yl]carbamate is sourced from PubChem (CID 89488563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).