3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine

C6H4ClF3N2O — CID 175453516

IUPAC3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine
SMILESFC(F)C(F)Oc1cnnc(Cl)c1
InChIInChI=1S/C6H4ClF3N2O/c7-4-1-3(2-11-12-4)13-6(10)5(8)9/h1-2,5-6H
InChIKeyGNCSDNXUXYSEKI-UHFFFAOYSA-N
MW212.56 g/mol
LogP2.07
Rot. Bonds3

About 3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine

3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine (PubChem CID 175453516) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine
PubChem CID175453516
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine
SMILESFC(F)C(F)Oc1cnnc(Cl)c1
InChIInChI=1S/C6H4ClF3N2O/c7-4-1-3(2-11-12-4)13-6(10)5(8)9/h1-2,5-6H
InChIKeyGNCSDNXUXYSEKI-UHFFFAOYSA-N
XLogP2.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine?
The IUPAC name of 3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine (CID 175453516) is 3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine.
What is the SMILES notation for 3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine?
The canonical SMILES for 3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine is FC(F)C(F)Oc1cnnc(Cl)c1.
What is the InChIKey of 3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine?
The InChIKey is GNCSDNXUXYSEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c7-4-1-3(2-11-12-4)13-6(10)5(8)9/h1-2,5-6H.
What are the key properties of 3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine?
3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine has a molecular weight of 212.56 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(1,2,2-trifluoroethoxy)pyridazine is sourced from PubChem (CID 175453516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).