3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine

C11H6F2N2O2 — CID 141166948

IUPAC3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine
SMILESFC1(F)Oc2ccc(-c3cccnn3)cc2O1
InChIInChI=1S/C11H6F2N2O2/c12-11(13)16-9-4-3-7(6-10(9)17-11)8-2-1-5-14-15-8/h1-6H
InChIKeyTVSJVBYRGCIMFZ-UHFFFAOYSA-N
MW236.18 g/mol
LogP2.47
Rot. Bonds1

About 3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine

3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine (PubChem CID 141166948) has the molecular formula C11H6F2N2O2 and a molecular weight of 236.18 g/mol. Its IUPAC name is 3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine.

Molecular Properties

Compound Name3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine
PubChem CID141166948
Molecular FormulaC11H6F2N2O2
Molecular Weight236.18 g/mol
Exact Mass236.04
IUPAC Name3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine
SMILESFC1(F)Oc2ccc(-c3cccnn3)cc2O1
InChIInChI=1S/C11H6F2N2O2/c12-11(13)16-9-4-3-7(6-10(9)17-11)8-2-1-5-14-15-8/h1-6H
InChIKeyTVSJVBYRGCIMFZ-UHFFFAOYSA-N
XLogP2.47
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.18
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine?
The IUPAC name of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine (CID 141166948) is 3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine.
What is the SMILES notation for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine?
The canonical SMILES for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine is FC1(F)Oc2ccc(-c3cccnn3)cc2O1.
What is the InChIKey of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine?
The InChIKey is TVSJVBYRGCIMFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F2N2O2/c12-11(13)16-9-4-3-7(6-10(9)17-11)8-2-1-5-14-15-8/h1-6H.
What are the key properties of 3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine?
3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine has a molecular weight of 236.18 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-1,3-benzodioxol-5-yl)pyridazine is sourced from PubChem (CID 141166948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).