3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine

C8H8ClF3N2O — CID 104514286

IUPAC3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine
SMILESFC(F)(F)CCOCc1ccc(Cl)nn1
InChIInChI=1S/C8H8ClF3N2O/c9-7-2-1-6(13-14-7)5-15-4-3-8(10,11)12/h1-2H,3-5H2
InChIKeyCPTJPWQYLUETLJ-UHFFFAOYSA-N
MW240.61 g/mol
LogP2.60
Rot. Bonds4

About 3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine

3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine (PubChem CID 104514286) has the molecular formula C8H8ClF3N2O and a molecular weight of 240.61 g/mol. Its IUPAC name is 3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine.

Molecular Properties

Compound Name3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine
PubChem CID104514286
Molecular FormulaC8H8ClF3N2O
Molecular Weight240.61 g/mol
Exact Mass240.03
IUPAC Name3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine
SMILESFC(F)(F)CCOCc1ccc(Cl)nn1
InChIInChI=1S/C8H8ClF3N2O/c9-7-2-1-6(13-14-7)5-15-4-3-8(10,11)12/h1-2H,3-5H2
InChIKeyCPTJPWQYLUETLJ-UHFFFAOYSA-N
XLogP2.60
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.61
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine?
The IUPAC name of 3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine (CID 104514286) is 3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine.
What is the SMILES notation for 3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine?
The canonical SMILES for 3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine is FC(F)(F)CCOCc1ccc(Cl)nn1.
What is the InChIKey of 3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine?
The InChIKey is CPTJPWQYLUETLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF3N2O/c9-7-2-1-6(13-14-7)5-15-4-3-8(10,11)12/h1-2H,3-5H2.
What are the key properties of 3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine?
3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine has a molecular weight of 240.61 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(3,3,3-trifluoropropoxymethyl)pyridazine is sourced from PubChem (CID 104514286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).