propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate

C10H11F3N2O3 — CID 75501046

IUPACpropan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
SMILESCC(C)OC(=O)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C10H11F3N2O3/c1-6(2)18-9(16)7-3-4-8(15-14-7)17-5-10(11,12)13/h3-4,6H,5H2,1-2H3
InChIKeyPTEZLKVDSIJUFY-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.98
Rot. Bonds4

About propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate

propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate (PubChem CID 75501046) has the molecular formula C10H11F3N2O3 and a molecular weight of 264.20 g/mol. Its IUPAC name is propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
PubChem CID75501046
Molecular FormulaC10H11F3N2O3
Molecular Weight264.20 g/mol
Exact Mass264.07
IUPAC Namepropan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate
SMILESCC(C)OC(=O)c1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C10H11F3N2O3/c1-6(2)18-9(16)7-3-4-8(15-14-7)17-5-10(11,12)13/h3-4,6H,5H2,1-2H3
InChIKeyPTEZLKVDSIJUFY-UHFFFAOYSA-N
XLogP1.98
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
The IUPAC name of propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate (CID 75501046) is propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate.
What is the SMILES notation for propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
The canonical SMILES for propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate is CC(C)OC(=O)c1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
The InChIKey is PTEZLKVDSIJUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3/c1-6(2)18-9(16)7-3-4-8(15-14-7)17-5-10(11,12)13/h3-4,6H,5H2,1-2H3.
What are the key properties of propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate?
propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate has a molecular weight of 264.20 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 6-(2,2,2-trifluoroethoxy)pyridazine-3-carboxylate is sourced from PubChem (CID 75501046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).