3,4,5,6-tetrakis(trifluoromethyl)pyridazine

C8F12N2 — CID 12633182

IUPAC3,4,5,6-tetrakis(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1nnc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8F12N2/c9-5(10,11)1-2(6(12,13)14)4(8(18,19)20)22-21-3(1)7(15,16)17
InChIKeyYSNPTUYOZUOODQ-UHFFFAOYSA-N
MW352.08 g/mol
LogP4.55
Rot. Bonds

About 3,4,5,6-tetrakis(trifluoromethyl)pyridazine

3,4,5,6-tetrakis(trifluoromethyl)pyridazine (PubChem CID 12633182) has the molecular formula C8F12N2 and a molecular weight of 352.08 g/mol. Its IUPAC name is 3,4,5,6-tetrakis(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3,4,5,6-tetrakis(trifluoromethyl)pyridazine
PubChem CID12633182
Molecular FormulaC8F12N2
Molecular Weight352.08 g/mol
Exact Mass351.99
IUPAC Name3,4,5,6-tetrakis(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1nnc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8F12N2/c9-5(10,11)1-2(6(12,13)14)4(8(18,19)20)22-21-3(1)7(15,16)17
InChIKeyYSNPTUYOZUOODQ-UHFFFAOYSA-N
XLogP4.55
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.08
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3,4,5,6-tetrakis(trifluoromethyl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
CID 88805355
1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene
CID 75406204
6,7,16,17,26,27-hexakis(trifluoromethyl)-3,5,8,10,13,15,18,20,23,25,28,30-dodecazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene
CID 58084879
2,6-dimethyl-3,4,5-tris(trifluoromethyl)pyridine
CID 167619078
CID 165399456
CID 165399456
4-ethyl-2,3-bis(trifluoromethyl)pyridine
CID 133094685
oxalic acid;3,4,5-tris(trifluoromethyl)-1H-pyrazole
CID 13245511
1-iodo-2,3,4,5,6-pentakis(trifluoromethyl)benzene
CID 146814181
5-fluoro-2,4,6-tris(trifluoromethyl)pyrimidine
CID 15395099
2,4,6-trimethyl-3,5-bis(trifluoromethyl)aniline
CID 71327551
3,6-bis(4-methylphenyl)-4,5-bis(trifluoromethyl)pyridazine
CID 15369982
hydroxy-dimethyl-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]silane
CID 153323664

Frequently Asked Questions

What is the IUPAC name of 3,4,5,6-tetrakis(trifluoromethyl)pyridazine?
The IUPAC name of 3,4,5,6-tetrakis(trifluoromethyl)pyridazine (CID 12633182) is 3,4,5,6-tetrakis(trifluoromethyl)pyridazine.
What is the SMILES notation for 3,4,5,6-tetrakis(trifluoromethyl)pyridazine?
The canonical SMILES for 3,4,5,6-tetrakis(trifluoromethyl)pyridazine is FC(F)(F)c1nnc(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 3,4,5,6-tetrakis(trifluoromethyl)pyridazine?
The InChIKey is YSNPTUYOZUOODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8F12N2/c9-5(10,11)1-2(6(12,13)14)4(8(18,19)20)22-21-3(1)7(15,16)17.
What are the key properties of 3,4,5,6-tetrakis(trifluoromethyl)pyridazine?
3,4,5,6-tetrakis(trifluoromethyl)pyridazine has a molecular weight of 352.08 g/mol, XLogP of 4.55, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5,6-tetrakis(trifluoromethyl)pyridazine is sourced from PubChem (CID 12633182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).