5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole

C10H11F3N2O — CID 160735530

IUPAC5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(C2CC3(CCC3)C2)n1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)8-14-7(16-15-8)6-4-9(5-6)2-1-3-9/h6H,1-5H2
InChIKeyVCERZSTXEAOQPG-UHFFFAOYSA-N
MW232.20 g/mol
LogP3.14
Rot. Bonds1

About 5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole

5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole (PubChem CID 160735530) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole
PubChem CID160735530
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole
SMILESFC(F)(F)c1noc(C2CC3(CCC3)C2)n1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)8-14-7(16-15-8)6-4-9(5-6)2-1-3-9/h6H,1-5H2
InChIKeyVCERZSTXEAOQPG-UHFFFAOYSA-N
XLogP3.14
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole (CID 160735530) is 5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole is FC(F)(F)c1noc(C2CC3(CCC3)C2)n1.
What is the InChIKey of 5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole?
The InChIKey is VCERZSTXEAOQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)8-14-7(16-15-8)6-4-9(5-6)2-1-3-9/h6H,1-5H2.
What are the key properties of 5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole?
5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole has a molecular weight of 232.20 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-spiro[3.3]heptan-2-yl-3-(trifluoromethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 160735530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).