3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole

C8H11F2N3O — CID 121184647

IUPAC3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESFC1(F)CCN(Cc2ncon2)CC1
InChIInChI=1S/C8H11F2N3O/c9-8(10)1-3-13(4-2-8)5-7-11-6-14-12-7/h6H,1-5H2
InChIKeyUEKKFYIMHZELHI-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.30
Rot. Bonds2

About 3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole

3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 121184647) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID121184647
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC Name3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole
SMILESFC1(F)CCN(Cc2ncon2)CC1
InChIInChI=1S/C8H11F2N3O/c9-8(10)1-3-13(4-2-8)5-7-11-6-14-12-7/h6H,1-5H2
InChIKeyUEKKFYIMHZELHI-UHFFFAOYSA-N
XLogP1.30
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole (CID 121184647) is 3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole is FC1(F)CCN(Cc2ncon2)CC1.
What is the InChIKey of 3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is UEKKFYIMHZELHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c9-8(10)1-3-13(4-2-8)5-7-11-6-14-12-7/h6H,1-5H2.
What are the key properties of 3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole?
3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 203.19 g/mol, XLogP of 1.30, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,4-difluoropiperidin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 121184647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).