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

C17H13F4NO2 — CID 22261400

IUPAC5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccccc2C(F)(F)F)C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H13F4NO2/c18-12-7-5-10(6-8-12)15-14(22-16(23)24-15)9-11-3-1-2-4-13(11)17(19,20)21/h1-8,14-15H,9H2,(H,22,23)
InChIKeyHEBROHYNMUMPDD-UHFFFAOYSA-N
MW339.29 g/mol
LogP4.24
Rot. Bonds3

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

5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22261400) has the molecular formula C17H13F4NO2 and a molecular weight of 339.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22261400
Molecular FormulaC17H13F4NO2
Molecular Weight339.29 g/mol
Exact Mass339.09
IUPAC Name5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2ccccc2C(F)(F)F)C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H13F4NO2/c18-12-7-5-10(6-8-12)15-14(22-16(23)24-15)9-11-3-1-2-4-13(11)17(19,20)21/h1-8,14-15H,9H2,(H,22,23)
InChIKeyHEBROHYNMUMPDD-UHFFFAOYSA-N
XLogP4.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.29
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one (CID 22261400) is 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2ccccc2C(F)(F)F)C(c2ccc(F)cc2)O1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is HEBROHYNMUMPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO2/c18-12-7-5-10(6-8-12)15-14(22-16(23)24-15)9-11-3-1-2-4-13(11)17(19,20)21/h1-8,14-15H,9H2,(H,22,23).
What are the key properties of 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 339.29 g/mol, XLogP of 4.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[[2-(trifluoromethyl)phenyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22261400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).