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

C18H16F3NO2 — CID 22261894

IUPAC4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCC(F)(F)c1ccc(CC2NC(=O)OC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16F3NO2/c1-18(20,21)13-6-2-11(3-7-13)10-15-16(24-17(23)22-15)12-4-8-14(19)9-5-12/h2-9,15-16H,10H2,1H3,(H,22,23)
InChIKeyWMARACXVGGEVBD-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.33
Rot. Bonds4

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

4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (PubChem CID 22261894) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
PubChem CID22261894
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one
SMILESCC(F)(F)c1ccc(CC2NC(=O)OC2c2ccc(F)cc2)cc1
InChIInChI=1S/C18H16F3NO2/c1-18(20,21)13-6-2-11(3-7-13)10-15-16(24-17(23)22-15)12-4-8-14(19)9-5-12/h2-9,15-16H,10H2,1H3,(H,22,23)
InChIKeyWMARACXVGGEVBD-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

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one (CID 22261894) is 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is CC(F)(F)c1ccc(CC2NC(=O)OC2c2ccc(F)cc2)cc1.
What is the InChIKey of 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
The InChIKey is WMARACXVGGEVBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-18(20,21)13-6-2-11(3-7-13)10-15-16(24-17(23)22-15)12-4-8-14(19)9-5-12/h2-9,15-16H,10H2,1H3,(H,22,23).
What are the key properties of 4-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one?
4-[[4-(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-[[4-(1,1-difluoroethyl)phenyl]methyl]-5-(4-fluorophenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).