3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole

C8H9F3N2O — CID 167263791

IUPAC3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCCc1noc(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C8H9F3N2O/c1-2-5-12-6(14-13-5)7(3-4-7)8(9,10)11/h2-4H2,1H3
InChIKeyCPZFMPLWRKLRKQ-UHFFFAOYSA-N
MW206.17 g/mol
LogP2.23
Rot. Bonds2

About 3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole

3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 167263791) has the molecular formula C8H9F3N2O and a molecular weight of 206.17 g/mol. Its IUPAC name is 3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID167263791
Molecular FormulaC8H9F3N2O
Molecular Weight206.17 g/mol
Exact Mass206.07
IUPAC Name3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESCCc1noc(C2(C(F)(F)F)CC2)n1
InChIInChI=1S/C8H9F3N2O/c1-2-5-12-6(14-13-5)7(3-4-7)8(9,10)11/h2-4H2,1H3
InChIKeyCPZFMPLWRKLRKQ-UHFFFAOYSA-N
XLogP2.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole (CID 167263791) is 3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole is CCc1noc(C2(C(F)(F)F)CC2)n1.
What is the InChIKey of 3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is CPZFMPLWRKLRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O/c1-2-5-12-6(14-13-5)7(3-4-7)8(9,10)11/h2-4H2,1H3.
What are the key properties of 3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 206.17 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167263791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).