4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one

C18H16F3NO2 — CID 22261676

IUPAC4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCC(F)(F)c1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1
InChIInChI=1S/C18H16F3NO2/c1-18(20,21)13-4-2-3-11(9-13)10-15-16(24-17(23)22-15)12-5-7-14(19)8-6-12/h2-9,15-16H,10H2,1H3,(H,22,23)
InChIKeyYPOZPTXTUMSSBG-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.33
Rot. Bonds4

About 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one

4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 22261676) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID22261676
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCC(F)(F)c1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1
InChIInChI=1S/C18H16F3NO2/c1-18(20,21)13-4-2-3-11(9-13)10-15-16(24-17(23)22-15)12-5-7-14(19)8-6-12/h2-9,15-16H,10H2,1H3,(H,22,23)
InChIKeyYPOZPTXTUMSSBG-UHFFFAOYSA-N
XLogP4.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-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 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 22261676) is 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is CC(F)(F)c1cccc(CC2NC(=O)OC2c2ccc(F)cc2)c1.
What is the InChIKey of 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is YPOZPTXTUMSSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-18(20,21)13-4-2-3-11(9-13)10-15-16(24-17(23)22-15)12-5-7-14(19)8-6-12/h2-9,15-16H,10H2,1H3,(H,22,23).
What are the key properties of 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one has a molecular weight of 335.33 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).