3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol

C14H10F11NO2 — CID 54279259

IUPAC3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol
SMILESOC1CC(c2ccccc2)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C14H10F11NO2/c15-10(16,11(17,18)13(21,22)23)12(19,20)14(24,25)26-8(6-9(27)28-26)7-4-2-1-3-5-7/h1-5,8-9,27H,6H2
InChIKeyRPQHRGLTLKZJTA-UHFFFAOYSA-N
MW433.22 g/mol
LogP4.74
Rot. Bonds5

About 3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol

3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol (PubChem CID 54279259) has the molecular formula C14H10F11NO2 and a molecular weight of 433.22 g/mol. Its IUPAC name is 3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol.

Molecular Properties

Compound Name3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol
PubChem CID54279259
Molecular FormulaC14H10F11NO2
Molecular Weight433.22 g/mol
Exact Mass433.05
IUPAC Name3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol
SMILESOC1CC(c2ccccc2)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1
InChIInChI=1S/C14H10F11NO2/c15-10(16,11(17,18)13(21,22)23)12(19,20)14(24,25)26-8(6-9(27)28-26)7-4-2-1-3-5-7/h1-5,8-9,27H,6H2
InChIKeyRPQHRGLTLKZJTA-UHFFFAOYSA-N
XLogP4.74
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.22
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol?
The IUPAC name of 3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol (CID 54279259) is 3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol.
What is the SMILES notation for 3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol?
The canonical SMILES for 3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol is OC1CC(c2ccccc2)N(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O1.
What is the InChIKey of 3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol?
The InChIKey is RPQHRGLTLKZJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F11NO2/c15-10(16,11(17,18)13(21,22)23)12(19,20)14(24,25)26-8(6-9(27)28-26)7-4-2-1-3-5-7/h1-5,8-9,27H,6H2.
What are the key properties of 3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol?
3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol has a molecular weight of 433.22 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)-1,2-oxazolidin-5-ol is sourced from PubChem (CID 54279259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).