5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one

C15H14F2N2O3 — CID 66875398

IUPAC5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1cc(Oc2c(F)cccc2F)cnn1C1CCCCO1
InChIInChI=1S/C15H14F2N2O3/c16-11-4-3-5-12(17)15(11)22-10-8-13(20)19(18-9-10)14-6-1-2-7-21-14/h3-5,8-9,14H,1-2,6-7H2
InChIKeyMGXNSJCDAYVKIW-UHFFFAOYSA-N
MW308.28 g/mol
LogP3.01
Rot. Bonds3

About 5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one

5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 66875398) has the molecular formula C15H14F2N2O3 and a molecular weight of 308.28 g/mol. Its IUPAC name is 5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one
PubChem CID66875398
Molecular FormulaC15H14F2N2O3
Molecular Weight308.28 g/mol
Exact Mass308.10
IUPAC Name5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one
SMILESO=c1cc(Oc2c(F)cccc2F)cnn1C1CCCCO1
InChIInChI=1S/C15H14F2N2O3/c16-11-4-3-5-12(17)15(11)22-10-8-13(20)19(18-9-10)14-6-1-2-7-21-14/h3-5,8-9,14H,1-2,6-7H2
InChIKeyMGXNSJCDAYVKIW-UHFFFAOYSA-N
XLogP3.01
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one (CID 66875398) is 5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one is O=c1cc(Oc2c(F)cccc2F)cnn1C1CCCCO1.
What is the InChIKey of 5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is MGXNSJCDAYVKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O3/c16-11-4-3-5-12(17)15(11)22-10-8-13(20)19(18-9-10)14-6-1-2-7-21-14/h3-5,8-9,14H,1-2,6-7H2.
What are the key properties of 5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one?
5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 308.28 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenoxy)-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 66875398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).