ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate

C14H16F3NO3 — CID 53248435

IUPACethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
SMILESCCOC(=O)CC1(C(F)(F)F)N[C@H](c2ccccc2)CO1
InChIInChI=1S/C14H16F3NO3/c1-2-20-12(19)8-13(14(15,16)17)18-11(9-21-13)10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3/t11-,13?/m0/s1
InChIKeyCSVMKSCQSLBTKC-AMGKYWFPSA-N
MW303.28 g/mol
LogP2.56
Rot. Bonds4

About ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate

ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate (PubChem CID 53248435) has the molecular formula C14H16F3NO3 and a molecular weight of 303.28 g/mol. Its IUPAC name is ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
PubChem CID53248435
Molecular FormulaC14H16F3NO3
Molecular Weight303.28 g/mol
Exact Mass303.11
IUPAC Nameethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate
SMILESCCOC(=O)CC1(C(F)(F)F)N[C@H](c2ccccc2)CO1
InChIInChI=1S/C14H16F3NO3/c1-2-20-12(19)8-13(14(15,16)17)18-11(9-21-13)10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3/t11-,13?/m0/s1
InChIKeyCSVMKSCQSLBTKC-AMGKYWFPSA-N
XLogP2.56
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
The IUPAC name of ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate (CID 53248435) is ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate is CCOC(=O)CC1(C(F)(F)F)N[C@H](c2ccccc2)CO1.
What is the InChIKey of ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
The InChIKey is CSVMKSCQSLBTKC-AMGKYWFPSA-N. The full InChI is InChI=1S/C14H16F3NO3/c1-2-20-12(19)8-13(14(15,16)17)18-11(9-21-13)10-6-4-3-5-7-10/h3-7,11,18H,2,8-9H2,1H3/t11-,13?/m0/s1.
What are the key properties of ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate?
ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate has a molecular weight of 303.28 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4R)-4-phenyl-2-(trifluoromethyl)-1,3-oxazolidin-2-yl]acetate is sourced from PubChem (CID 53248435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).