3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine

C16H12F5NO — CID 71438363

IUPAC3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine
SMILESCN1CC(c2ccccc2)OC1c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H12F5NO/c1-22-7-9(8-5-3-2-4-6-8)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h2-6,9,16H,7H2,1H3
InChIKeyFEQTXDRXFDTACA-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.08
Rot. Bonds2

About 3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine

3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine (PubChem CID 71438363) has the molecular formula C16H12F5NO and a molecular weight of 329.27 g/mol. Its IUPAC name is 3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine.

Molecular Properties

Compound Name3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine
PubChem CID71438363
Molecular FormulaC16H12F5NO
Molecular Weight329.27 g/mol
Exact Mass329.08
IUPAC Name3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine
SMILESCN1CC(c2ccccc2)OC1c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C16H12F5NO/c1-22-7-9(8-5-3-2-4-6-8)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h2-6,9,16H,7H2,1H3
InChIKeyFEQTXDRXFDTACA-UHFFFAOYSA-N
XLogP4.08
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine?
The IUPAC name of 3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine (CID 71438363) is 3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine.
What is the SMILES notation for 3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine?
The canonical SMILES for 3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine is CN1CC(c2ccccc2)OC1c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine?
The InChIKey is FEQTXDRXFDTACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5NO/c1-22-7-9(8-5-3-2-4-6-8)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h2-6,9,16H,7H2,1H3.
What are the key properties of 3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine?
3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine has a molecular weight of 329.27 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(2,3,4,5,6-pentafluorophenyl)-5-phenyl-1,3-oxazolidine is sourced from PubChem (CID 71438363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).