3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine

C24H16F4N2O3 — CID 10115219

IUPAC3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine
SMILESCOc1ccc(-c2cc(Oc3c(F)c(F)cc(F)c3F)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H16F4N2O3/c1-31-15-7-3-13(4-8-15)17-11-20(33-24-21(27)18(25)12-19(26)22(24)28)29-30-23(17)14-5-9-16(32-2)10-6-14/h3-12H,1-2H3
InChIKeyVTVQNZDIYAEJIS-UHFFFAOYSA-N
MW456.40 g/mol
LogP6.18
Rot. Bonds6

About 3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine

3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine (PubChem CID 10115219) has the molecular formula C24H16F4N2O3 and a molecular weight of 456.40 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine
PubChem CID10115219
Molecular FormulaC24H16F4N2O3
Molecular Weight456.40 g/mol
Exact Mass456.11
IUPAC Name3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine
SMILESCOc1ccc(-c2cc(Oc3c(F)c(F)cc(F)c3F)nnc2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C24H16F4N2O3/c1-31-15-7-3-13(4-8-15)17-11-20(33-24-21(27)18(25)12-19(26)22(24)28)29-30-23(17)14-5-9-16(32-2)10-6-14/h3-12H,1-2H3
InChIKeyVTVQNZDIYAEJIS-UHFFFAOYSA-N
XLogP6.18
TPSA53.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.40
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine (CID 10115219) is 3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine is COc1ccc(-c2cc(Oc3c(F)c(F)cc(F)c3F)nnc2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine?
The InChIKey is VTVQNZDIYAEJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N2O3/c1-31-15-7-3-13(4-8-15)17-11-20(33-24-21(27)18(25)12-19(26)22(24)28)29-30-23(17)14-5-9-16(32-2)10-6-14/h3-12H,1-2H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine?
3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine has a molecular weight of 456.40 g/mol, XLogP of 6.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridazine is sourced from PubChem (CID 10115219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).