5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

C11H10F3NO2 — CID 3046896

IUPAC5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cc2ccccc2C(F)(F)F)O1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)9-4-2-1-3-7(9)5-8-6-15-10(16)17-8/h1-4,8H,5-6H2,(H,15,16)
InChIKeyBDRGRYXKTRWSCP-UHFFFAOYSA-N
MW245.20 g/mol
LogP2.36
Rot. Bonds2

About 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one

5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 3046896) has the molecular formula C11H10F3NO2 and a molecular weight of 245.20 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID3046896
Molecular FormulaC11H10F3NO2
Molecular Weight245.20 g/mol
Exact Mass245.07
IUPAC Name5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(Cc2ccccc2C(F)(F)F)O1
InChIInChI=1S/C11H10F3NO2/c12-11(13,14)9-4-2-1-3-7(9)5-8-6-15-10(16)17-8/h1-4,8H,5-6H2,(H,15,16)
InChIKeyBDRGRYXKTRWSCP-UHFFFAOYSA-N
XLogP2.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 3046896) is 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1NCC(Cc2ccccc2C(F)(F)F)O1.
What is the InChIKey of 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is BDRGRYXKTRWSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO2/c12-11(13,14)9-4-2-1-3-7(9)5-8-6-15-10(16)17-8/h1-4,8H,5-6H2,(H,15,16).
What are the key properties of 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 245.20 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 3046896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).