3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole

C10H8F2N2O2 — CID 167046911

IUPAC3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole
SMILESCC(F)(F)Oc1ccc(-c2ncon2)cc1
InChIInChI=1S/C10H8F2N2O2/c1-10(11,12)16-8-4-2-7(3-5-8)9-13-6-15-14-9/h2-6H,1H3
InChIKeyDXANCMOBIPIBIV-UHFFFAOYSA-N
MW226.18 g/mol
LogP2.73
Rot. Bonds3

About 3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole

3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole (PubChem CID 167046911) has the molecular formula C10H8F2N2O2 and a molecular weight of 226.18 g/mol. Its IUPAC name is 3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole
PubChem CID167046911
Molecular FormulaC10H8F2N2O2
Molecular Weight226.18 g/mol
Exact Mass226.06
IUPAC Name3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole
SMILESCC(F)(F)Oc1ccc(-c2ncon2)cc1
InChIInChI=1S/C10H8F2N2O2/c1-10(11,12)16-8-4-2-7(3-5-8)9-13-6-15-14-9/h2-6H,1H3
InChIKeyDXANCMOBIPIBIV-UHFFFAOYSA-N
XLogP2.73
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.18
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole (CID 167046911) is 3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole is CC(F)(F)Oc1ccc(-c2ncon2)cc1.
What is the InChIKey of 3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole?
The InChIKey is DXANCMOBIPIBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N2O2/c1-10(11,12)16-8-4-2-7(3-5-8)9-13-6-15-14-9/h2-6H,1H3.
What are the key properties of 3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole?
3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole has a molecular weight of 226.18 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,1-difluoroethoxy)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167046911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).