6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one

C11H13F2N3O2 — CID 121184558

IUPAC6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(F)(F)CC2)ccc1=O
InChIInChI=1S/C11H13F2N3O2/c1-15-9(17)3-2-8(14-15)10(18)16-6-4-11(12,13)5-7-16/h2-3H,4-7H2,1H3
InChIKeyQGKXQPYZPPWSNY-UHFFFAOYSA-N
MW257.24 g/mol
LogP0.65
Rot. Bonds1

About 6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one

6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one (PubChem CID 121184558) has the molecular formula C11H13F2N3O2 and a molecular weight of 257.24 g/mol. Its IUPAC name is 6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
PubChem CID121184558
Molecular FormulaC11H13F2N3O2
Molecular Weight257.24 g/mol
Exact Mass257.10
IUPAC Name6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
SMILESCn1nc(C(=O)N2CCC(F)(F)CC2)ccc1=O
InChIInChI=1S/C11H13F2N3O2/c1-15-9(17)3-2-8(14-15)10(18)16-6-4-11(12,13)5-7-16/h2-3H,4-7H2,1H3
InChIKeyQGKXQPYZPPWSNY-UHFFFAOYSA-N
XLogP0.65
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one (CID 121184558) is 6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one is Cn1nc(C(=O)N2CCC(F)(F)CC2)ccc1=O.
What is the InChIKey of 6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one?
The InChIKey is QGKXQPYZPPWSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3O2/c1-15-9(17)3-2-8(14-15)10(18)16-6-4-11(12,13)5-7-16/h2-3H,4-7H2,1H3.
What are the key properties of 6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one?
6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one has a molecular weight of 257.24 g/mol, XLogP of 0.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 121184558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).