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

C8H13FN2O — CID 130726748

IUPAC2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(C)(C)F)o1
InChIInChI=1S/C8H13FN2O/c1-5(2)6-10-11-7(12-6)8(3,4)9/h5H,1-4H3
InChIKeyXLTDXQCGLXIDEL-UHFFFAOYSA-N
MW172.20 g/mol
LogP2.40
Rot. Bonds2

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

2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 130726748) has the molecular formula C8H13FN2O and a molecular weight of 172.20 g/mol. Its IUPAC name is 2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID130726748
Molecular FormulaC8H13FN2O
Molecular Weight172.20 g/mol
Exact Mass172.10
IUPAC Name2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(C(C)(C)F)o1
InChIInChI=1S/C8H13FN2O/c1-5(2)6-10-11-7(12-6)8(3,4)9/h5H,1-4H3
InChIKeyXLTDXQCGLXIDEL-UHFFFAOYSA-N
XLogP2.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.20
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole (CID 130726748) is 2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(C(C)(C)F)o1.
What is the InChIKey of 2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is XLTDXQCGLXIDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FN2O/c1-5(2)6-10-11-7(12-6)8(3,4)9/h5H,1-4H3.
What are the key properties of 2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 172.20 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoropropan-2-yl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 130726748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).