5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one

C17H13F5N2O3 — CID 22262221

IUPAC5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2cccc(OC(F)(F)C(F)F)n2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H13F5N2O3/c18-10-6-4-9(5-7-10)14-12(24-16(25)26-14)8-11-2-1-3-13(23-11)27-17(21,22)15(19)20/h1-7,12,14-15H,8H2,(H,24,25)
InChIKeyMBFONRXYYONMMN-UHFFFAOYSA-N
MW388.29 g/mol
LogP3.85
Rot. Bonds6

About 5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one

5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one (PubChem CID 22262221) has the molecular formula C17H13F5N2O3 and a molecular weight of 388.29 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one
PubChem CID22262221
Molecular FormulaC17H13F5N2O3
Molecular Weight388.29 g/mol
Exact Mass388.08
IUPAC Name5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NC(Cc2cccc(OC(F)(F)C(F)F)n2)C(c2ccc(F)cc2)O1
InChIInChI=1S/C17H13F5N2O3/c18-10-6-4-9(5-7-10)14-12(24-16(25)26-14)8-11-2-1-3-13(23-11)27-17(21,22)15(19)20/h1-7,12,14-15H,8H2,(H,24,25)
InChIKeyMBFONRXYYONMMN-UHFFFAOYSA-N
XLogP3.85
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.29
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one (CID 22262221) is 5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one is O=C1NC(Cc2cccc(OC(F)(F)C(F)F)n2)C(c2ccc(F)cc2)O1.
What is the InChIKey of 5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one?
The InChIKey is MBFONRXYYONMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F5N2O3/c18-10-6-4-9(5-7-10)14-12(24-16(25)26-14)8-11-2-1-3-13(23-11)27-17(21,22)15(19)20/h1-7,12,14-15H,8H2,(H,24,25).
What are the key properties of 5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one?
5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one has a molecular weight of 388.29 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-4-[[6-(1,1,2,2-tetrafluoroethoxy)-2-pyridinyl]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22262221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).