1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone

C13H14F3NO2 — CID 15306062

IUPAC1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone
SMILESC[C@@H]1O[C@H](c2ccccc2)[C@@H](C)N1C(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-8-11(10-6-4-3-5-7-10)19-9(2)17(8)12(18)13(14,15)16/h3-9,11H,1-2H3/t8-,9+,11+/m1/s1
InChIKeyFKNJGUDJSHDHBN-YWVKMMECSA-N
MW273.25 g/mol
LogP2.88
Rot. Bonds1

About 1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone

1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone (PubChem CID 15306062) has the molecular formula C13H14F3NO2 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone
PubChem CID15306062
Molecular FormulaC13H14F3NO2
Molecular Weight273.25 g/mol
Exact Mass273.10
IUPAC Name1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone
SMILESC[C@@H]1O[C@H](c2ccccc2)[C@@H](C)N1C(=O)C(F)(F)F
InChIInChI=1S/C13H14F3NO2/c1-8-11(10-6-4-3-5-7-10)19-9(2)17(8)12(18)13(14,15)16/h3-9,11H,1-2H3/t8-,9+,11+/m1/s1
InChIKeyFKNJGUDJSHDHBN-YWVKMMECSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone?
The IUPAC name of 1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone (CID 15306062) is 1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone?
The canonical SMILES for 1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone is C[C@@H]1O[C@H](c2ccccc2)[C@@H](C)N1C(=O)C(F)(F)F.
What is the InChIKey of 1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone?
The InChIKey is FKNJGUDJSHDHBN-YWVKMMECSA-N. The full InChI is InChI=1S/C13H14F3NO2/c1-8-11(10-6-4-3-5-7-10)19-9(2)17(8)12(18)13(14,15)16/h3-9,11H,1-2H3/t8-,9+,11+/m1/s1.
What are the key properties of 1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone?
1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone has a molecular weight of 273.25 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4R,5R)-2,4-dimethyl-5-phenyl-1,3-oxazolidin-3-yl]-2,2,2-trifluoroethanone is sourced from PubChem (CID 15306062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).