tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate

C12H20F3NO3 — CID 11000534

IUPACtert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CC(F)(F)F)COC1(C)C
InChIInChI=1S/C12H20F3NO3/c1-10(2,3)19-9(17)16-8(6-12(13,14)15)7-18-11(16,4)5/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyTZMZJOJMXFXUCA-MRVPVSSYSA-N
MW283.29 g/mol
LogP3.31
Rot. Bonds1

About tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 11000534) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate
PubChem CID11000534
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Nametert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1[C@H](CC(F)(F)F)COC1(C)C
InChIInChI=1S/C12H20F3NO3/c1-10(2,3)19-9(17)16-8(6-12(13,14)15)7-18-11(16,4)5/h8H,6-7H2,1-5H3/t8-/m1/s1
InChIKeyTZMZJOJMXFXUCA-MRVPVSSYSA-N
XLogP3.31
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate (CID 11000534) is tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1[C@H](CC(F)(F)F)COC1(C)C.
What is the InChIKey of tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is TZMZJOJMXFXUCA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-10(2,3)19-9(17)16-8(6-12(13,14)15)7-18-11(16,4)5/h8H,6-7H2,1-5H3/t8-/m1/s1.
What are the key properties of tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 283.29 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-2,2-dimethyl-4-(2,2,2-trifluoroethyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11000534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).