3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole

C6H7F3N2O — CID 89036857

IUPAC3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole
SMILESCCc1nonc1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-2-4-5(11-12-10-4)3-6(7,8)9/h2-3H2,1H3
InChIKeyDCVIZNKSAZLQRQ-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.74
Rot. Bonds2

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

3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole (PubChem CID 89036857) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole
PubChem CID89036857
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole
SMILESCCc1nonc1CC(F)(F)F
InChIInChI=1S/C6H7F3N2O/c1-2-4-5(11-12-10-4)3-6(7,8)9/h2-3H2,1H3
InChIKeyDCVIZNKSAZLQRQ-UHFFFAOYSA-N
XLogP1.74
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole?
The IUPAC name of 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole (CID 89036857) is 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole.
What is the SMILES notation for 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole?
The canonical SMILES for 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole is CCc1nonc1CC(F)(F)F.
What is the InChIKey of 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole?
The InChIKey is DCVIZNKSAZLQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-2-4-5(11-12-10-4)3-6(7,8)9/h2-3H2,1H3.
What are the key properties of 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole?
3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole has a molecular weight of 180.13 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-(2,2,2-trifluoroethyl)-1,2,5-oxadiazole is sourced from PubChem (CID 89036857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).