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

C17H13F4NO3 — CID 59580282

IUPAC5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2cc(F)cc(C(F)(F)F)c2)CN1c1ccccc1
InChIInChI=1S/C17H13F4NO3/c18-12-6-11(17(19,20)21)7-14(8-12)24-10-15-9-22(16(23)25-15)13-4-2-1-3-5-13/h1-8,15H,9-10H2
InChIKeyHCDKADTYIBUSPF-UHFFFAOYSA-N
MW355.29 g/mol
LogP4.25
Rot. Bonds4

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

5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 59580282) has the molecular formula C17H13F4NO3 and a molecular weight of 355.29 g/mol. Its IUPAC name is 5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID59580282
Molecular FormulaC17H13F4NO3
Molecular Weight355.29 g/mol
Exact Mass355.08
IUPAC Name5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC(COc2cc(F)cc(C(F)(F)F)c2)CN1c1ccccc1
InChIInChI=1S/C17H13F4NO3/c18-12-6-11(17(19,20)21)7-14(8-12)24-10-15-9-22(16(23)25-15)13-4-2-1-3-5-13/h1-8,15H,9-10H2
InChIKeyHCDKADTYIBUSPF-UHFFFAOYSA-N
XLogP4.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.29
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 59580282) is 5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one is O=C1OC(COc2cc(F)cc(C(F)(F)F)c2)CN1c1ccccc1.
What is the InChIKey of 5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is HCDKADTYIBUSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F4NO3/c18-12-6-11(17(19,20)21)7-14(8-12)24-10-15-9-22(16(23)25-15)13-4-2-1-3-5-13/h1-8,15H,9-10H2.
What are the key properties of 5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 355.29 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-fluoro-5-(trifluoromethyl)phenoxy]methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 59580282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).