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

C11H9BrF3NO2 — CID 66891913

IUPAC3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H9BrF3NO2/c12-9-2-1-8(11(13,14)15)5-7(9)6-16-3-4-18-10(16)17/h1-2,5H,3-4,6H2
InChIKeyGIATYVFJPGNGDL-UHFFFAOYSA-N
MW324.10 g/mol
LogP3.42
Rot. Bonds2

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

3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 66891913) has the molecular formula C11H9BrF3NO2 and a molecular weight of 324.10 g/mol. Its IUPAC name is 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID66891913
Molecular FormulaC11H9BrF3NO2
Molecular Weight324.10 g/mol
Exact Mass322.98
IUPAC Name3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C11H9BrF3NO2/c12-9-2-1-8(11(13,14)15)5-7(9)6-16-3-4-18-10(16)17/h1-2,5H,3-4,6H2
InChIKeyGIATYVFJPGNGDL-UHFFFAOYSA-N
XLogP3.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 66891913) is 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1Cc1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is GIATYVFJPGNGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3NO2/c12-9-2-1-8(11(13,14)15)5-7(9)6-16-3-4-18-10(16)17/h1-2,5H,3-4,6H2.
What are the key properties of 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 324.10 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-bromo-5-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 66891913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).