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

C11H9F4NO2 — CID 72858836

IUPAC3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C11H9F4NO2/c12-8-3-1-2-7(9(8)11(13,14)15)6-16-4-5-18-10(16)17/h1-3H,4-6H2
InChIKeyFQBXOGDVJHQXAL-UHFFFAOYSA-N
MW263.19 g/mol
LogP2.80
Rot. Bonds2

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

3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 72858836) has the molecular formula C11H9F4NO2 and a molecular weight of 263.19 g/mol. Its IUPAC name is 3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID72858836
Molecular FormulaC11H9F4NO2
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Name3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1Cc1cccc(F)c1C(F)(F)F
InChIInChI=1S/C11H9F4NO2/c12-8-3-1-2-7(9(8)11(13,14)15)6-16-4-5-18-10(16)17/h1-3H,4-6H2
InChIKeyFQBXOGDVJHQXAL-UHFFFAOYSA-N
XLogP2.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 72858836) is 3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1OCCN1Cc1cccc(F)c1C(F)(F)F.
What is the InChIKey of 3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is FQBXOGDVJHQXAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO2/c12-8-3-1-2-7(9(8)11(13,14)15)6-16-4-5-18-10(16)17/h1-3H,4-6H2.
What are the key properties of 3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 263.19 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-fluoro-2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72858836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).