2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole

C11H5F6NO2 — CID 91052726

IUPAC2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole
SMILESFC(F)(F)c1ccc(Oc2ncco2)cc1C(F)(F)F
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)7-2-1-6(5-8(7)11(15,16)17)20-9-18-3-4-19-9/h1-5H
InChIKeyUKABBHIBTIYXJK-UHFFFAOYSA-N
MW297.15 g/mol
LogP4.50
Rot. Bonds2

About 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole

2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole (PubChem CID 91052726) has the molecular formula C11H5F6NO2 and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole.

Molecular Properties

Compound Name2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole
PubChem CID91052726
Molecular FormulaC11H5F6NO2
Molecular Weight297.15 g/mol
Exact Mass297.02
IUPAC Name2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole
SMILESFC(F)(F)c1ccc(Oc2ncco2)cc1C(F)(F)F
InChIInChI=1S/C11H5F6NO2/c12-10(13,14)7-2-1-6(5-8(7)11(15,16)17)20-9-18-3-4-19-9/h1-5H
InChIKeyUKABBHIBTIYXJK-UHFFFAOYSA-N
XLogP4.50
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The IUPAC name of 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole (CID 91052726) is 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole.
What is the SMILES notation for 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The canonical SMILES for 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole is FC(F)(F)c1ccc(Oc2ncco2)cc1C(F)(F)F.
What is the InChIKey of 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
The InChIKey is UKABBHIBTIYXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F6NO2/c12-10(13,14)7-2-1-6(5-8(7)11(15,16)17)20-9-18-3-4-19-9/h1-5H.
What are the key properties of 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole?
2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole has a molecular weight of 297.15 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,4-bis(trifluoromethyl)phenoxy]-1,3-oxazole is sourced from PubChem (CID 91052726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).