ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate

C13H14F3NO3 — CID 15953649

IUPACethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)N[C@H](c2ccccc2)CO1
InChIInChI=1S/C13H14F3NO3/c1-2-19-11(18)12(13(14,15)16)17-10(8-20-12)9-6-4-3-5-7-9/h3-7,10,17H,2,8H2,1H3/t10-,12?/m0/s1
InChIKeyZCHNLKGCDQVHCZ-NUHJPDEHSA-N
MW289.25 g/mol
LogP2.17
Rot. Bonds3

About ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate

ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate (PubChem CID 15953649) has the molecular formula C13H14F3NO3 and a molecular weight of 289.25 g/mol. Its IUPAC name is ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
PubChem CID15953649
Molecular FormulaC13H14F3NO3
Molecular Weight289.25 g/mol
Exact Mass289.09
IUPAC Nameethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate
SMILESCCOC(=O)C1(C(F)(F)F)N[C@H](c2ccccc2)CO1
InChIInChI=1S/C13H14F3NO3/c1-2-19-11(18)12(13(14,15)16)17-10(8-20-12)9-6-4-3-5-7-9/h3-7,10,17H,2,8H2,1H3/t10-,12?/m0/s1
InChIKeyZCHNLKGCDQVHCZ-NUHJPDEHSA-N
XLogP2.17
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate?
The IUPAC name of ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate (CID 15953649) is ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate.
What is the SMILES notation for ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate?
The canonical SMILES for ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate is CCOC(=O)C1(C(F)(F)F)N[C@H](c2ccccc2)CO1.
What is the InChIKey of ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate?
The InChIKey is ZCHNLKGCDQVHCZ-NUHJPDEHSA-N. The full InChI is InChI=1S/C13H14F3NO3/c1-2-19-11(18)12(13(14,15)16)17-10(8-20-12)9-6-4-3-5-7-9/h3-7,10,17H,2,8H2,1H3/t10-,12?/m0/s1.
What are the key properties of ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate?
ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate has a molecular weight of 289.25 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidine-2-carboxylate is sourced from PubChem (CID 15953649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).