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

C20H14F6N2 — CID 15369982

IUPAC3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine
SMILESCc1ccc(-c2nnc(-c3ccc(C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H14F6N2/c1-11-3-7-13(8-4-11)17-15(19(21,22)23)16(20(24,25)26)18(28-27-17)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyGQKJFBLRWZIAKS-UHFFFAOYSA-N
MW396.33 g/mol
LogP6.47
Rot. Bonds2

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

3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine (PubChem CID 15369982) has the molecular formula C20H14F6N2 and a molecular weight of 396.33 g/mol. Its IUPAC name is 3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine
PubChem CID15369982
Molecular FormulaC20H14F6N2
Molecular Weight396.33 g/mol
Exact Mass396.11
IUPAC Name3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine
SMILESCc1ccc(-c2nnc(-c3ccc(C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1
InChIInChI=1S/C20H14F6N2/c1-11-3-7-13(8-4-11)17-15(19(21,22)23)16(20(24,25)26)18(28-27-17)14-9-5-12(2)6-10-14/h3-10H,1-2H3
InChIKeyGQKJFBLRWZIAKS-UHFFFAOYSA-N
XLogP6.47
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.33
LogP ≤ 56.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-bis(4-methoxyphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369983
1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
CID 21026844
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308
2-(4-methylphenyl)-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 176952533
dichloro(difluoro)methane;1,4-xylene
CID 161479390
3-(4-bromophenyl)-5-methyl-4-(trifluoromethyl)-1H-pyrazole
CID 125455921
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
4-ethyl-3-(4-methylphenyl)-5-(trifluoromethyl)-1H-pyrazole
CID 142637004
5-(4-methylphenyl)-4,6-diphenyltriazine
CID 13483660
1-methoxy-4-(4-methylphenyl)-2,3-bis(trifluoromethyl)benzene
CID 162548604
N-fluoro-4-(4-methylphenyl)aniline
CID 156821673

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine?
The IUPAC name of 3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine (CID 15369982) is 3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine.
What is the SMILES notation for 3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine?
The canonical SMILES for 3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine is Cc1ccc(-c2nnc(-c3ccc(C)cc3)c(C(F)(F)F)c2C(F)(F)F)cc1.
What is the InChIKey of 3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine?
The InChIKey is GQKJFBLRWZIAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F6N2/c1-11-3-7-13(8-4-11)17-15(19(21,22)23)16(20(24,25)26)18(28-27-17)14-9-5-12(2)6-10-14/h3-10H,1-2H3.
What are the key properties of 3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine?
3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine has a molecular weight of 396.33 g/mol, XLogP of 6.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine is sourced from PubChem (CID 15369982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).