3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole

C7H9F2N3O — CID 166825110

IUPAC3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN1CC(F)(F)C1
InChIInChI=1S/C7H9F2N3O/c1-5-6(11-13-10-5)2-12-3-7(8,9)4-12/h2-4H2,1H3
InChIKeyMNHXHWDXJOWWJN-UHFFFAOYSA-N
MW189.16 g/mol
LogP0.83
Rot. Bonds2

About 3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole

3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole (PubChem CID 166825110) has the molecular formula C7H9F2N3O and a molecular weight of 189.16 g/mol. Its IUPAC name is 3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole
PubChem CID166825110
Molecular FormulaC7H9F2N3O
Molecular Weight189.16 g/mol
Exact Mass189.07
IUPAC Name3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole
SMILESCc1nonc1CN1CC(F)(F)C1
InChIInChI=1S/C7H9F2N3O/c1-5-6(11-13-10-5)2-12-3-7(8,9)4-12/h2-4H2,1H3
InChIKeyMNHXHWDXJOWWJN-UHFFFAOYSA-N
XLogP0.83
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole?
The IUPAC name of 3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole (CID 166825110) is 3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole.
What is the SMILES notation for 3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole?
The canonical SMILES for 3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole is Cc1nonc1CN1CC(F)(F)C1.
What is the InChIKey of 3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole?
The InChIKey is MNHXHWDXJOWWJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O/c1-5-6(11-13-10-5)2-12-3-7(8,9)4-12/h2-4H2,1H3.
What are the key properties of 3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole?
3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole has a molecular weight of 189.16 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluoroazetidin-1-yl)methyl]-4-methyl-1,2,5-oxadiazole is sourced from PubChem (CID 166825110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).