6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde

C7H5F3N2O2 — CID 163383436

IUPAC6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde
SMILESO=Cc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-14-6-2-1-5(3-13)11-12-6/h1-3H,4H2
InChIKeyOPDJCVKNMIKNCM-UHFFFAOYSA-N
MW206.12 g/mol
LogP1.23
Rot. Bonds3

About 6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde

6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde (PubChem CID 163383436) has the molecular formula C7H5F3N2O2 and a molecular weight of 206.12 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde
PubChem CID163383436
Molecular FormulaC7H5F3N2O2
Molecular Weight206.12 g/mol
Exact Mass206.03
IUPAC Name6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde
SMILESO=Cc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H5F3N2O2/c8-7(9,10)4-14-6-2-1-5(3-13)11-12-6/h1-3H,4H2
InChIKeyOPDJCVKNMIKNCM-UHFFFAOYSA-N
XLogP1.23
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.12
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde (CID 163383436) is 6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde is O=Cc1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde?
The InChIKey is OPDJCVKNMIKNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2O2/c8-7(9,10)4-14-6-2-1-5(3-13)11-12-6/h1-3H,4H2.
What are the key properties of 6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde?
6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde has a molecular weight of 206.12 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)pyridazine-3-carbaldehyde is sourced from PubChem (CID 163383436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).