4-methyl-3,6-bis(trifluoromethyl)pyridazine

C7H4F6N2 — CID 71374916

IUPAC4-methyl-3,6-bis(trifluoromethyl)pyridazine
SMILESCc1cc(C(F)(F)F)nnc1C(F)(F)F
InChIInChI=1S/C7H4F6N2/c1-3-2-4(6(8,9)10)14-15-5(3)7(11,12)13/h2H,1H3
InChIKeyCCQZAYLJQVXHFO-UHFFFAOYSA-N
MW230.11 g/mol
LogP2.82
Rot. Bonds

About 4-methyl-3,6-bis(trifluoromethyl)pyridazine

4-methyl-3,6-bis(trifluoromethyl)pyridazine (PubChem CID 71374916) has the molecular formula C7H4F6N2 and a molecular weight of 230.11 g/mol. Its IUPAC name is 4-methyl-3,6-bis(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name4-methyl-3,6-bis(trifluoromethyl)pyridazine
PubChem CID71374916
Molecular FormulaC7H4F6N2
Molecular Weight230.11 g/mol
Exact Mass230.03
IUPAC Name4-methyl-3,6-bis(trifluoromethyl)pyridazine
SMILESCc1cc(C(F)(F)F)nnc1C(F)(F)F
InChIInChI=1S/C7H4F6N2/c1-3-2-4(6(8,9)10)14-15-5(3)7(11,12)13/h2H,1H3
InChIKeyCCQZAYLJQVXHFO-UHFFFAOYSA-N
XLogP2.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.11
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,6-bis(trifluoromethyl)pyridazine?
The IUPAC name of 4-methyl-3,6-bis(trifluoromethyl)pyridazine (CID 71374916) is 4-methyl-3,6-bis(trifluoromethyl)pyridazine.
What is the SMILES notation for 4-methyl-3,6-bis(trifluoromethyl)pyridazine?
The canonical SMILES for 4-methyl-3,6-bis(trifluoromethyl)pyridazine is Cc1cc(C(F)(F)F)nnc1C(F)(F)F.
What is the InChIKey of 4-methyl-3,6-bis(trifluoromethyl)pyridazine?
The InChIKey is CCQZAYLJQVXHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F6N2/c1-3-2-4(6(8,9)10)14-15-5(3)7(11,12)13/h2H,1H3.
What are the key properties of 4-methyl-3,6-bis(trifluoromethyl)pyridazine?
4-methyl-3,6-bis(trifluoromethyl)pyridazine has a molecular weight of 230.11 g/mol, XLogP of 2.82, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,6-bis(trifluoromethyl)pyridazine is sourced from PubChem (CID 71374916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).