3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine

C7H6ClF3N2O — CID 71303483

IUPAC3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine
SMILESFC(F)(F)CCOc1cnnc(Cl)c1
InChIInChI=1S/C7H6ClF3N2O/c8-6-3-5(4-12-13-6)14-2-1-7(9,10)11/h3-4H,1-2H2
InChIKeyHBIHLLUKLCLKNG-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.46
Rot. Bonds3

About 3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine

3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine (PubChem CID 71303483) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is 3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine.

Molecular Properties

Compound Name3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine
PubChem CID71303483
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine
SMILESFC(F)(F)CCOc1cnnc(Cl)c1
InChIInChI=1S/C7H6ClF3N2O/c8-6-3-5(4-12-13-6)14-2-1-7(9,10)11/h3-4H,1-2H2
InChIKeyHBIHLLUKLCLKNG-UHFFFAOYSA-N
XLogP2.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.58
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine?
The IUPAC name of 3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine (CID 71303483) is 3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine.
What is the SMILES notation for 3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine?
The canonical SMILES for 3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine is FC(F)(F)CCOc1cnnc(Cl)c1.
What is the InChIKey of 3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine?
The InChIKey is HBIHLLUKLCLKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c8-6-3-5(4-12-13-6)14-2-1-7(9,10)11/h3-4H,1-2H2.
What are the key properties of 3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine?
3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine has a molecular weight of 226.58 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(3,3,3-trifluoropropoxy)pyridazine is sourced from PubChem (CID 71303483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).