6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one

C18H14F2N2O2 — CID 51048580

IUPAC6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccccc3F)n2)c(F)c1
InChIInChI=1S/C18H14F2N2O2/c1-24-13-6-7-14(16(20)10-13)17-8-9-18(23)22(21-17)11-12-4-2-3-5-15(12)19/h2-10H,11H2,1H3
InChIKeyXVVCFJBYXBWUCX-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.25
Rot. Bonds4

About 6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one

6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 51048580) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
PubChem CID51048580
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccccc3F)n2)c(F)c1
InChIInChI=1S/C18H14F2N2O2/c1-24-13-6-7-14(16(20)10-13)17-8-9-18(23)22(21-17)11-12-4-2-3-5-15(12)19/h2-10H,11H2,1H3
InChIKeyXVVCFJBYXBWUCX-UHFFFAOYSA-N
XLogP3.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one (CID 51048580) is 6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3ccccc3F)n2)c(F)c1.
What is the InChIKey of 6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is XVVCFJBYXBWUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-24-13-6-7-14(16(20)10-13)17-8-9-18(23)22(21-17)11-12-4-2-3-5-15(12)19/h2-10H,11H2,1H3.
What are the key properties of 6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one?
6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 328.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-4-methoxyphenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 51048580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).