3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine

C18H13F3N2O — CID 129075141

IUPAC3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1ccc(-c2cnnc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)16-8-6-14(7-9-16)15-10-17(23-22-11-15)24-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyVVGYFZCQMUQPSE-UHFFFAOYSA-N
MW330.31 g/mol
LogP4.74
Rot. Bonds4

About 3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine

3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine (PubChem CID 129075141) has the molecular formula C18H13F3N2O and a molecular weight of 330.31 g/mol. Its IUPAC name is 3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine
PubChem CID129075141
Molecular FormulaC18H13F3N2O
Molecular Weight330.31 g/mol
Exact Mass330.10
IUPAC Name3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1ccc(-c2cnnc(OCc3ccccc3)c2)cc1
InChIInChI=1S/C18H13F3N2O/c19-18(20,21)16-8-6-14(7-9-16)15-10-17(23-22-11-15)24-12-13-4-2-1-3-5-13/h1-11H,12H2
InChIKeyVVGYFZCQMUQPSE-UHFFFAOYSA-N
XLogP4.74
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.31
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine (CID 129075141) is 3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine is FC(F)(F)c1ccc(-c2cnnc(OCc3ccccc3)c2)cc1.
What is the InChIKey of 3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is VVGYFZCQMUQPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O/c19-18(20,21)16-8-6-14(7-9-16)15-10-17(23-22-11-15)24-12-13-4-2-1-3-5-13/h1-11H,12H2.
What are the key properties of 3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine?
3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 330.31 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylmethoxy-5-[4-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 129075141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).