5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid

C20H14F5NO5 — CID 22261456

IUPAC5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1cccc(C(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C20H14F5NO5/c21-13-6-4-11(5-7-13)15-14(26(18(28)29)19(30)31-15)9-10-2-1-3-12(8-10)16(27)20(24,25)17(22)23/h1-8,14-15,17H,9H2,(H,28,29)
InChIKeyOFOJDAUPKQVDSM-UHFFFAOYSA-N
MW443.32 g/mol
LogP4.69
Rot. Bonds6

About 5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid

5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid (PubChem CID 22261456) has the molecular formula C20H14F5NO5 and a molecular weight of 443.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
PubChem CID22261456
Molecular FormulaC20H14F5NO5
Molecular Weight443.32 g/mol
Exact Mass443.08
IUPAC Name5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid
SMILESO=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1cccc(C(=O)C(F)(F)C(F)F)c1
InChIInChI=1S/C20H14F5NO5/c21-13-6-4-11(5-7-13)15-14(26(18(28)29)19(30)31-15)9-10-2-1-3-12(8-10)16(27)20(24,25)17(22)23/h1-8,14-15,17H,9H2,(H,28,29)
InChIKeyOFOJDAUPKQVDSM-UHFFFAOYSA-N
XLogP4.69
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.32
LogP ≤ 54.69
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)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The IUPAC name of 5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid (CID 22261456) is 5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid.
What is the SMILES notation for 5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The canonical SMILES for 5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid is O=C(O)N1C(=O)OC(c2ccc(F)cc2)C1Cc1cccc(C(=O)C(F)(F)C(F)F)c1.
What is the InChIKey of 5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
The InChIKey is OFOJDAUPKQVDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F5NO5/c21-13-6-4-11(5-7-13)15-14(26(18(28)29)19(30)31-15)9-10-2-1-3-12(8-10)16(27)20(24,25)17(22)23/h1-8,14-15,17H,9H2,(H,28,29).
What are the key properties of 5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid?
5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid has a molecular weight of 443.32 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-oxo-4-[[3-(2,2,3,3-tetrafluoropropanoyl)phenyl]methyl]-1,3-oxazolidine-3-carboxylic acid is sourced from PubChem (CID 22261456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).