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

C8H12F2N2O2 — CID 90124944

IUPAC3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(COC(C)(F)F)no1
InChIInChI=1S/C8H12F2N2O2/c1-5(2)7-11-6(12-14-7)4-13-8(3,9)10/h5H,4H2,1-3H3
InChIKeyPSTYPBPZCHAVOP-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.32
Rot. Bonds4

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

3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole (PubChem CID 90124944) has the molecular formula C8H12F2N2O2 and a molecular weight of 206.19 g/mol. Its IUPAC name is 3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
PubChem CID90124944
Molecular FormulaC8H12F2N2O2
Molecular Weight206.19 g/mol
Exact Mass206.09
IUPAC Name3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(COC(C)(F)F)no1
InChIInChI=1S/C8H12F2N2O2/c1-5(2)7-11-6(12-14-7)4-13-8(3,9)10/h5H,4H2,1-3H3
InChIKeyPSTYPBPZCHAVOP-UHFFFAOYSA-N
XLogP2.32
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole (CID 90124944) is 3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole is CC(C)c1nc(COC(C)(F)F)no1.
What is the InChIKey of 3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
The InChIKey is PSTYPBPZCHAVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O2/c1-5(2)7-11-6(12-14-7)4-13-8(3,9)10/h5H,4H2,1-3H3.
What are the key properties of 3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole?
3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole has a molecular weight of 206.19 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethoxymethyl)-5-propan-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 90124944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).