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

C18H10F6N2O — CID 142673952

IUPAC3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)Oc1ccc(-c2nnccc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H10F6N2O/c19-17(20,21)13-5-1-11(2-6-13)15-9-10-25-26-16(15)12-3-7-14(8-4-12)27-18(22,23)24/h1-10H
InChIKeyGIEQFCHXVIVHRS-UHFFFAOYSA-N
MW384.28 g/mol
LogP5.73
Rot. Bonds3

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

3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine (PubChem CID 142673952) has the molecular formula C18H10F6N2O and a molecular weight of 384.28 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine
PubChem CID142673952
Molecular FormulaC18H10F6N2O
Molecular Weight384.28 g/mol
Exact Mass384.07
IUPAC Name3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)Oc1ccc(-c2nnccc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H10F6N2O/c19-17(20,21)13-5-1-11(2-6-13)15-9-10-25-26-16(15)12-3-7-14(8-4-12)27-18(22,23)24/h1-10H
InChIKeyGIEQFCHXVIVHRS-UHFFFAOYSA-N
XLogP5.73
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.28
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-Bis(4-methoxyphenyl)-6(2,3,4,5,6-pentafluorophenoxy)pyridazine
CID 10140295
5-(3-Isopropoxy-phenyl)-3-phenyl-pyridazine
CID 10401969
3,4-Bis(4-methoxyphenyl)-6-phenylpyridazine
CID 12113842
3-(3,5-Difluorophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76323851
3-(4-Fluorophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76327409
6-Methyl-3-(4-methylphenoxy)-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76331070
3-(2-Fluorophenoxy)-6-methyl-4-[3-(trifluoromethyl)phenyl]pyridazine
CID 76331083
4-(4-Methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]triazole
CID 172433370
2-(4-Methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]triazole
CID 172435605
8-(4-Methoxyphenyl)-4-[4-(trifluoromethyl)phenyl]cinnoline
CID 15891216
4-(4-Methoxyphenyl)-8-[4-(trifluoromethyl)phenyl]cinnoline
CID 15891218
3-(4-Methoxyphenyl)-6-[4-(4-methoxyphenyl)phenyl]-4-(trifluoromethyl)pyridazine
CID 16093019

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine (CID 142673952) is 3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine is FC(F)(F)Oc1ccc(-c2nnccc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is GIEQFCHXVIVHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F6N2O/c19-17(20,21)13-5-1-11(2-6-13)15-9-10-25-26-16(15)12-3-7-14(8-4-12)27-18(22,23)24/h1-10H.
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine?
3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 384.28 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)phenyl]-4-[4-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 142673952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).