5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

C8H10F3N3O — CID 61392915

IUPAC5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(C2CCCN2)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)4-6-13-7(15-14-6)5-2-1-3-12-5/h5,12H,1-4H2
InChIKeyTXUHVVFLIQGFIR-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.60
Rot. Bonds2

About 5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole

5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (PubChem CID 61392915) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
PubChem CID61392915
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)Cc1noc(C2CCCN2)n1
InChIInChI=1S/C8H10F3N3O/c9-8(10,11)4-6-13-7(15-14-6)5-2-1-3-12-5/h5,12H,1-4H2
InChIKeyTXUHVVFLIQGFIR-UHFFFAOYSA-N
XLogP1.60
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole (CID 61392915) is 5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is FC(F)(F)Cc1noc(C2CCCN2)n1.
What is the InChIKey of 5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
The InChIKey is TXUHVVFLIQGFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c9-8(10,11)4-6-13-7(15-14-6)5-2-1-3-12-5/h5,12H,1-4H2.
What are the key properties of 5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole?
5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole has a molecular weight of 221.18 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-2-yl-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 61392915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).