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

C6H5F3N2O — CID 161108860

IUPAC5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2ncno2)CC1
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5(1-2-5)4-10-3-11-12-4/h3H,1-2H2
InChIKeyUJKVHSRGECRXTH-UHFFFAOYSA-N
MW178.11 g/mol
LogP1.66
Rot. Bonds1

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

5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole (PubChem CID 161108860) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
PubChem CID161108860
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole
SMILESFC(F)(F)C1(c2ncno2)CC1
InChIInChI=1S/C6H5F3N2O/c7-6(8,9)5(1-2-5)4-10-3-11-12-4/h3H,1-2H2
InChIKeyUJKVHSRGECRXTH-UHFFFAOYSA-N
XLogP1.66
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole (CID 161108860) is 5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole is FC(F)(F)C1(c2ncno2)CC1.
What is the InChIKey of 5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is UJKVHSRGECRXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-6(8,9)5(1-2-5)4-10-3-11-12-4/h3H,1-2H2.
What are the key properties of 5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole?
5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 178.11 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(trifluoromethyl)cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 161108860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).