2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole

C6H7F3N2O — CID 59232412

IUPAC2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C6H7F3N2O/c1-3(2)4-10-11-5(12-4)6(7,8)9/h3H,1-2H3
InChIKeyOQYYGZYLDABOGO-UHFFFAOYSA-N
MW180.13 g/mol
LogP2.21
Rot. Bonds1

About 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole

2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole (PubChem CID 59232412) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
PubChem CID59232412
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(F)(F)F)o1
InChIInChI=1S/C6H7F3N2O/c1-3(2)4-10-11-5(12-4)6(7,8)9/h3H,1-2H3
InChIKeyOQYYGZYLDABOGO-UHFFFAOYSA-N
XLogP2.21
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole (CID 59232412) is 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole is CC(C)c1nnc(C(F)(F)F)o1.
What is the InChIKey of 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
The InChIKey is OQYYGZYLDABOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c1-3(2)4-10-11-5(12-4)6(7,8)9/h3H,1-2H3.
What are the key properties of 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole?
2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole has a molecular weight of 180.13 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(trifluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 59232412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).