5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol

C11H9F4NO2 — CID 171981687

IUPAC5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(c2ccccc2)CC(C(F)(F)C(F)F)=NO1
InChIInChI=1S/C11H9F4NO2/c12-9(13)11(14,15)8-6-10(17,18-16-8)7-4-2-1-3-5-7/h1-5,9,17H,6H2
InChIKeyRZTWNFJBSBDLPC-UHFFFAOYSA-N
MW263.19 g/mol
LogP2.51
Rot. Bonds3

About 5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol

5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol (PubChem CID 171981687) has the molecular formula C11H9F4NO2 and a molecular weight of 263.19 g/mol. Its IUPAC name is 5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol.

Molecular Properties

Compound Name5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol
PubChem CID171981687
Molecular FormulaC11H9F4NO2
Molecular Weight263.19 g/mol
Exact Mass263.06
IUPAC Name5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol
SMILESOC1(c2ccccc2)CC(C(F)(F)C(F)F)=NO1
InChIInChI=1S/C11H9F4NO2/c12-9(13)11(14,15)8-6-10(17,18-16-8)7-4-2-1-3-5-7/h1-5,9,17H,6H2
InChIKeyRZTWNFJBSBDLPC-UHFFFAOYSA-N
XLogP2.51
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol?
The IUPAC name of 5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol (CID 171981687) is 5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol.
What is the SMILES notation for 5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol?
The canonical SMILES for 5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol is OC1(c2ccccc2)CC(C(F)(F)C(F)F)=NO1.
What is the InChIKey of 5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol?
The InChIKey is RZTWNFJBSBDLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F4NO2/c12-9(13)11(14,15)8-6-10(17,18-16-8)7-4-2-1-3-5-7/h1-5,9,17H,6H2.
What are the key properties of 5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol?
5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol has a molecular weight of 263.19 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(1,1,2,2-tetrafluoroethyl)-4H-1,2-oxazol-5-ol is sourced from PubChem (CID 171981687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).