2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone

C16H9F3N2O3 — CID 171520174

IUPAC2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
SMILESO=C(c1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)13(23)9-1-3-10(4-2-9)14-20-15(24-21-14)11-5-7-12(22)8-6-11/h1-8,22H
InChIKeyZTFGZBVOSPIFAX-UHFFFAOYSA-N
MW334.25 g/mol
LogP3.85
Rot. Bonds3

About 2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone

2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone (PubChem CID 171520174) has the molecular formula C16H9F3N2O3 and a molecular weight of 334.25 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
PubChem CID171520174
Molecular FormulaC16H9F3N2O3
Molecular Weight334.25 g/mol
Exact Mass334.06
IUPAC Name2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone
SMILESO=C(c1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1)C(F)(F)F
InChIInChI=1S/C16H9F3N2O3/c17-16(18,19)13(23)9-1-3-10(4-2-9)14-20-15(24-21-14)11-5-7-12(22)8-6-11/h1-8,22H
InChIKeyZTFGZBVOSPIFAX-UHFFFAOYSA-N
XLogP3.85
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.25
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone (CID 171520174) is 2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone is O=C(c1ccc(-c2noc(-c3ccc(O)cc3)n2)cc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone?
The InChIKey is ZTFGZBVOSPIFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3N2O3/c17-16(18,19)13(23)9-1-3-10(4-2-9)14-20-15(24-21-14)11-5-7-12(22)8-6-11/h1-8,22H.
What are the key properties of 2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone?
2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone has a molecular weight of 334.25 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[4-[5-(4-hydroxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]ethanone is sourced from PubChem (CID 171520174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).