5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol

C9H4F4N2O2 — CID 136789988

IUPAC5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(F)ccc1-c1nc(C(F)(F)F)no1
InChIInChI=1S/C9H4F4N2O2/c10-4-1-2-5(6(16)3-4)7-14-8(15-17-7)9(11,12)13/h1-3,16H
InChIKeyPVWHRDZDQIXBNL-UHFFFAOYSA-N
MW248.13 g/mol
LogP2.60
Rot. Bonds1

About 5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol

5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol (PubChem CID 136789988) has the molecular formula C9H4F4N2O2 and a molecular weight of 248.13 g/mol. Its IUPAC name is 5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol.

Molecular Properties

Compound Name5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
PubChem CID136789988
Molecular FormulaC9H4F4N2O2
Molecular Weight248.13 g/mol
Exact Mass248.02
IUPAC Name5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
SMILESOc1cc(F)ccc1-c1nc(C(F)(F)F)no1
InChIInChI=1S/C9H4F4N2O2/c10-4-1-2-5(6(16)3-4)7-14-8(15-17-7)9(11,12)13/h1-3,16H
InChIKeyPVWHRDZDQIXBNL-UHFFFAOYSA-N
XLogP2.60
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136809747
5-fluoro-2-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809814
5-fluoro-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136809721
2-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136789913
5-fluoro-2-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136789957
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789963
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789933
2-methyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136751251
2-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136964407
2-[3-(2-bromo-4-methylphenyl)-1,2,4-oxadiazol-5-yl]-5-fluorophenol
CID 136701088
5-fluoro-2-[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136790013
5-fluoro-2-[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701059

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The IUPAC name of 5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol (CID 136789988) is 5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol.
What is the SMILES notation for 5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The canonical SMILES for 5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol is Oc1cc(F)ccc1-c1nc(C(F)(F)F)no1.
What is the InChIKey of 5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
The InChIKey is PVWHRDZDQIXBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2O2/c10-4-1-2-5(6(16)3-4)7-14-8(15-17-7)9(11,12)13/h1-3,16H.
What are the key properties of 5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol?
5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol has a molecular weight of 248.13 g/mol, XLogP of 2.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]phenol is sourced from PubChem (CID 136789988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).