3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

C9H4F4N2O — CID 90464045

IUPAC3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C9H4F4N2O/c10-6-3-1-2-5(4-6)7-14-8(16-15-7)9(11,12)13/h1-4H
InChIKeyTXXRHAZDMOANPZ-UHFFFAOYSA-N
MW232.14 g/mol
LogP2.89
Rot. Bonds1

About 3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole

3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 90464045) has the molecular formula C9H4F4N2O and a molecular weight of 232.14 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID90464045
Molecular FormulaC9H4F4N2O
Molecular Weight232.14 g/mol
Exact Mass232.03
IUPAC Name3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFc1cccc(-c2noc(C(F)(F)F)n2)c1
InChIInChI=1S/C9H4F4N2O/c10-6-3-1-2-5(4-6)7-14-8(16-15-7)9(11,12)13/h1-4H
InChIKeyTXXRHAZDMOANPZ-UHFFFAOYSA-N
XLogP2.89
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.14
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole (CID 90464045) is 3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is Fc1cccc(-c2noc(C(F)(F)F)n2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is TXXRHAZDMOANPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F4N2O/c10-6-3-1-2-5(4-6)7-14-8(16-15-7)9(11,12)13/h1-4H.
What are the key properties of 3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole?
3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 232.14 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-5-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 90464045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).