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

C5H7FN2O — CID 123392447

IUPAC3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(F)c1ncon1
InChIInChI=1S/C5H7FN2O/c1-5(2,6)4-7-3-9-8-4/h3H,1-2H3
InChIKeyWICGLVIFEQUDEB-UHFFFAOYSA-N
MW130.12 g/mol
LogP1.27
Rot. Bonds1

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

3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole (PubChem CID 123392447) has the molecular formula C5H7FN2O and a molecular weight of 130.12 g/mol. Its IUPAC name is 3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole
PubChem CID123392447
Molecular FormulaC5H7FN2O
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole
SMILESCC(C)(F)c1ncon1
InChIInChI=1S/C5H7FN2O/c1-5(2,6)4-7-3-9-8-4/h3H,1-2H3
InChIKeyWICGLVIFEQUDEB-UHFFFAOYSA-N
XLogP1.27
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole (CID 123392447) is 3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole is CC(C)(F)c1ncon1.
What is the InChIKey of 3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole?
The InChIKey is WICGLVIFEQUDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7FN2O/c1-5(2,6)4-7-3-9-8-4/h3H,1-2H3.
What are the key properties of 3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole?
3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole has a molecular weight of 130.12 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoropropan-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 123392447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).