2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one

C13H12F2N2O2 — CID 167763079

IUPAC2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one
SMILESO=c1ccc(-c2ccco2)nn1CC1CC(F)(F)C1
InChIInChI=1S/C13H12F2N2O2/c14-13(15)6-9(7-13)8-17-12(18)4-3-10(16-17)11-2-1-5-19-11/h1-5,9H,6-8H2
InChIKeyZOQUYFQQIFVAAX-UHFFFAOYSA-N
MW266.25 g/mol
LogP2.55
Rot. Bonds3

About 2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one

2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one (PubChem CID 167763079) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one
PubChem CID167763079
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one
SMILESO=c1ccc(-c2ccco2)nn1CC1CC(F)(F)C1
InChIInChI=1S/C13H12F2N2O2/c14-13(15)6-9(7-13)8-17-12(18)4-3-10(16-17)11-2-1-5-19-11/h1-5,9H,6-8H2
InChIKeyZOQUYFQQIFVAAX-UHFFFAOYSA-N
XLogP2.55
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one?
The IUPAC name of 2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one (CID 167763079) is 2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one.
What is the SMILES notation for 2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one?
The canonical SMILES for 2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one is O=c1ccc(-c2ccco2)nn1CC1CC(F)(F)C1.
What is the InChIKey of 2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one?
The InChIKey is ZOQUYFQQIFVAAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c14-13(15)6-9(7-13)8-17-12(18)4-3-10(16-17)11-2-1-5-19-11/h1-5,9H,6-8H2.
What are the key properties of 2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one?
2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one has a molecular weight of 266.25 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3-difluorocyclobutyl)methyl]-6-(furan-2-yl)pyridazin-3-one is sourced from PubChem (CID 167763079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).