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

C7H6ClF3N2O — CID 61257870

IUPAC3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine
SMILESFC(F)(F)COc1ccc(CCl)nn1
InChIInChI=1S/C7H6ClF3N2O/c8-3-5-1-2-6(13-12-5)14-4-7(9,10)11/h1-2H,3-4H2
InChIKeySIBSWRSAPOKHRG-UHFFFAOYSA-N
MW226.58 g/mol
LogP2.16
Rot. Bonds3

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

3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine (PubChem CID 61257870) has the molecular formula C7H6ClF3N2O and a molecular weight of 226.58 g/mol. Its IUPAC name is 3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine.

Molecular Properties

Compound Name3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine
PubChem CID61257870
Molecular FormulaC7H6ClF3N2O
Molecular Weight226.58 g/mol
Exact Mass226.01
IUPAC Name3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine
SMILESFC(F)(F)COc1ccc(CCl)nn1
InChIInChI=1S/C7H6ClF3N2O/c8-3-5-1-2-6(13-12-5)14-4-7(9,10)11/h1-2H,3-4H2
InChIKeySIBSWRSAPOKHRG-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(Chloromethyl)-6-methoxypyridazine
CID 23239696
(6-(2,2,2-Trifluoroethoxy)pyridazin-3-yl)methanol
CID 61256334
3-Methoxy-6-methylpyridazine
CID 303677
[6-(2,2,2-Trifluoroethoxy)pyridazin-3-yl]methanamine dihydrochloride
CID 122156807
3-Methoxy-6-(trifluoromethyl)pyridazine
CID 66486927
3-(6-Fluorohept-1-ynyl)-6-prop-2-enoxypyridazine
CID 67657677
3-(6-Fluorohept-1-enyl)-6-prop-2-enoxypyridazine
CID 67658231
3-(6-Fluoroheptyl)-6-prop-2-enoxypyridazine
CID 67815325
3-(Difluoromethyl)-6-methoxypyridazine
CID 86715320
4-(Chloromethyl)-6-(difluoromethyl)-3-methoxypyridazine
CID 86715321
3-(1,1-Difluoroethyl)-6-methoxypyridazine
CID 86715325
4-(Chloromethyl)-6-(1,1-difluoroethyl)-3-methoxypyridazine
CID 86715326

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine?
The IUPAC name of 3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine (CID 61257870) is 3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine.
What is the SMILES notation for 3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine?
The canonical SMILES for 3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine is FC(F)(F)COc1ccc(CCl)nn1.
What is the InChIKey of 3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine?
The InChIKey is SIBSWRSAPOKHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O/c8-3-5-1-2-6(13-12-5)14-4-7(9,10)11/h1-2H,3-4H2.
What are the key properties of 3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine?
3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine has a molecular weight of 226.58 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine is sourced from PubChem (CID 61257870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).