ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate

C9H10F2N2O3 — CID 118647149

IUPACethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(=O)n(C)n1
InChIInChI=1S/C9H10F2N2O3/c1-3-16-8(15)9(10,11)6-4-5-7(14)13(2)12-6/h4-5H,3H2,1-2H3
InChIKeyJZUDDALDLALHET-UHFFFAOYSA-N
MW232.19 g/mol
LogP0.44
Rot. Bonds3

About ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate

ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate (PubChem CID 118647149) has the molecular formula C9H10F2N2O3 and a molecular weight of 232.19 g/mol. Its IUPAC name is ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate
PubChem CID118647149
Molecular FormulaC9H10F2N2O3
Molecular Weight232.19 g/mol
Exact Mass232.07
IUPAC Nameethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate
SMILESCCOC(=O)C(F)(F)c1ccc(=O)n(C)n1
InChIInChI=1S/C9H10F2N2O3/c1-3-16-8(15)9(10,11)6-4-5-7(14)13(2)12-6/h4-5H,3H2,1-2H3
InChIKeyJZUDDALDLALHET-UHFFFAOYSA-N
XLogP0.44
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.19
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate?
The IUPAC name of ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate (CID 118647149) is ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate.
What is the SMILES notation for ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate?
The canonical SMILES for ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate is CCOC(=O)C(F)(F)c1ccc(=O)n(C)n1.
What is the InChIKey of ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate?
The InChIKey is JZUDDALDLALHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O3/c1-3-16-8(15)9(10,11)6-4-5-7(14)13(2)12-6/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate?
ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate has a molecular weight of 232.19 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-difluoro-2-(1-methyl-6-oxopyridazin-3-yl)acetate is sourced from PubChem (CID 118647149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).