3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine

C12H9F3N2O — CID 134106459

IUPAC3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine
SMILESFC(F)(F)c1ccc(COc2cccnn2)cc1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)10-5-3-9(4-6-10)8-18-11-2-1-7-16-17-11/h1-7H,8H2
InChIKeyRTYWBZOBSYXBFE-UHFFFAOYSA-N
MW254.21 g/mol
LogP3.07
Rot. Bonds3

About 3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine

3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine (PubChem CID 134106459) has the molecular formula C12H9F3N2O and a molecular weight of 254.21 g/mol. Its IUPAC name is 3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine.

Molecular Properties

Compound Name3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine
PubChem CID134106459
Molecular FormulaC12H9F3N2O
Molecular Weight254.21 g/mol
Exact Mass254.07
IUPAC Name3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine
SMILESFC(F)(F)c1ccc(COc2cccnn2)cc1
InChIInChI=1S/C12H9F3N2O/c13-12(14,15)10-5-3-9(4-6-10)8-18-11-2-1-7-16-17-11/h1-7H,8H2
InChIKeyRTYWBZOBSYXBFE-UHFFFAOYSA-N
XLogP3.07
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
CID 167152492
3-[(3-fluorophenyl)methoxy]pyridazine
CID 171984777
2-phenylmethoxy-4-[4-(trifluoromethyl)phenyl]pyridine
CID 58901931
1-(trifluoromethyl)-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 174057400
6-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carbaldehyde
CID 167053235
2-pyridazin-3-yloxy-5-(trifluoromethyl)aniline
CID 82000159
3-[2-chloro-5-(trifluoromethyl)phenoxy]pyridazine
CID 154125773
1-tert-butyl-4-[[4-(trifluoromethyl)phenoxy]methyl]benzene
CID 171509643
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378
1-(bromomethyl)-3-methyl-2-[[4-(trifluoromethyl)phenyl]methoxy]benzene
CID 115956849
2-(chloromethyl)-4-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
CID 14425986
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine
CID 71302196

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine?
The IUPAC name of 3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine (CID 134106459) is 3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine.
What is the SMILES notation for 3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine?
The canonical SMILES for 3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine is FC(F)(F)c1ccc(COc2cccnn2)cc1.
What is the InChIKey of 3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine?
The InChIKey is RTYWBZOBSYXBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O/c13-12(14,15)10-5-3-9(4-6-10)8-18-11-2-1-7-16-17-11/h1-7H,8H2.
What are the key properties of 3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine?
3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine has a molecular weight of 254.21 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(trifluoromethyl)phenyl]methoxy]pyridazine is sourced from PubChem (CID 134106459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).