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

C10H16F2N2O4 — CID 87324173

IUPACtert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CON(CC(F)F)C1=O
InChIInChI=1S/C10H16F2N2O4/c1-10(2,3)18-9(16)13-6-5-17-14(8(6)15)4-7(11)12/h6-7H,4-5H2,1-3H3,(H,13,16)
InChIKeyIPZJMFJQCHVWFB-UHFFFAOYSA-N
MW266.24 g/mol
LogP0.92
Rot. Bonds3

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

tert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate (PubChem CID 87324173) has the molecular formula C10H16F2N2O4 and a molecular weight of 266.24 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
PubChem CID87324173
Molecular FormulaC10H16F2N2O4
Molecular Weight266.24 g/mol
Exact Mass266.11
IUPAC Nametert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1CON(CC(F)F)C1=O
InChIInChI=1S/C10H16F2N2O4/c1-10(2,3)18-9(16)13-6-5-17-14(8(6)15)4-7(11)12/h6-7H,4-5H2,1-3H3,(H,13,16)
InChIKeyIPZJMFJQCHVWFB-UHFFFAOYSA-N
XLogP0.92
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate (CID 87324173) is tert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate is CC(C)(C)OC(=O)NC1CON(CC(F)F)C1=O.
What is the InChIKey of tert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
The InChIKey is IPZJMFJQCHVWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O4/c1-10(2,3)18-9(16)13-6-5-17-14(8(6)15)4-7(11)12/h6-7H,4-5H2,1-3H3,(H,13,16).
What are the key properties of tert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate?
tert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate has a molecular weight of 266.24 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,2-difluoroethyl)-3-oxo-1,2-oxazolidin-4-yl]carbamate is sourced from PubChem (CID 87324173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).