2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one

C12H10F2N2O2 — CID 99844108

IUPAC2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1ccccc1OC(F)F
InChIInChI=1S/C12H10F2N2O2/c13-12(14)18-10-5-2-1-4-9(10)8-16-11(17)6-3-7-15-16/h1-7,12H,8H2
InChIKeyTWFHOTQJLPCFSC-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.89
Rot. Bonds4

About 2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one

2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one (PubChem CID 99844108) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one
PubChem CID99844108
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one
SMILESO=c1cccnn1Cc1ccccc1OC(F)F
InChIInChI=1S/C12H10F2N2O2/c13-12(14)18-10-5-2-1-4-9(10)8-16-11(17)6-3-7-15-16/h1-7,12H,8H2
InChIKeyTWFHOTQJLPCFSC-UHFFFAOYSA-N
XLogP1.89
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one?
The IUPAC name of 2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one (CID 99844108) is 2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one.
What is the SMILES notation for 2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one?
The canonical SMILES for 2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one is O=c1cccnn1Cc1ccccc1OC(F)F.
What is the InChIKey of 2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one?
The InChIKey is TWFHOTQJLPCFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c13-12(14)18-10-5-2-1-4-9(10)8-16-11(17)6-3-7-15-16/h1-7,12H,8H2.
What are the key properties of 2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one?
2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one has a molecular weight of 252.22 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethoxy)phenyl]methyl]pyridazin-3-one is sourced from PubChem (CID 99844108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).