3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine

C20H14F6N2O2 — CID 15369983

IUPAC3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
SMILESCOc1ccc(-c2nnc(-c3ccc(OC)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H14F6N2O2/c1-29-13-7-3-11(4-8-13)17-15(19(21,22)23)16(20(24,25)26)18(28-27-17)12-5-9-14(30-2)10-6-12/h3-10H,1-2H3
InChIKeyNUHGOGDZACOWOX-UHFFFAOYSA-N
MW428.33 g/mol
LogP5.87
Rot. Bonds4

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

3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine (PubChem CID 15369983) has the molecular formula C20H14F6N2O2 and a molecular weight of 428.33 g/mol. Its IUPAC name is 3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
PubChem CID15369983
Molecular FormulaC20H14F6N2O2
Molecular Weight428.33 g/mol
Exact Mass428.10
IUPAC Name3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
SMILESCOc1ccc(-c2nnc(-c3ccc(OC)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H14F6N2O2/c1-29-13-7-3-11(4-8-13)17-15(19(21,22)23)16(20(24,25)26)18(28-27-17)12-5-9-14(30-2)10-6-12/h3-10H,1-2H3
InChIKeyNUHGOGDZACOWOX-UHFFFAOYSA-N
XLogP5.87
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.33
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine?
The IUPAC name of 3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine (CID 15369983) is 3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine.
What is the SMILES notation for 3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine?
The canonical SMILES for 3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine is COc1ccc(-c2nnc(-c3ccc(OC)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.
What is the InChIKey of 3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine?
The InChIKey is NUHGOGDZACOWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2O2/c1-29-13-7-3-11(4-8-13)17-15(19(21,22)23)16(20(24,25)26)18(28-27-17)12-5-9-14(30-2)10-6-12/h3-10H,1-2H3.
What are the key properties of 3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine?
3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine has a molecular weight of 428.33 g/mol, XLogP of 5.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine is sourced from PubChem (CID 15369983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).