3-(trifluoromethyl)pyridazine

C5H3F3N2 — CID 20691951

IUPAC3-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cccnn1
InChIInChI=1S/C5H3F3N2/c6-5(7,8)4-2-1-3-9-10-4/h1-3H
InChIKeyVVQHIHPZHJQYEY-UHFFFAOYSA-N
MW148.09 g/mol
LogP1.50
Rot. Bonds

About 3-(trifluoromethyl)pyridazine

3-(trifluoromethyl)pyridazine (PubChem CID 20691951) has the molecular formula C5H3F3N2 and a molecular weight of 148.09 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-(trifluoromethyl)pyridazine
PubChem CID20691951
Molecular FormulaC5H3F3N2
Molecular Weight148.09 g/mol
Exact Mass148.02
IUPAC Name3-(trifluoromethyl)pyridazine
SMILESFC(F)(F)c1cccnn1
InChIInChI=1S/C5H3F3N2/c6-5(7,8)4-2-1-3-9-10-4/h1-3H
InChIKeyVVQHIHPZHJQYEY-UHFFFAOYSA-N
XLogP1.50
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.09
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyridazine?
The IUPAC name of 3-(trifluoromethyl)pyridazine (CID 20691951) is 3-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-(trifluoromethyl)pyridazine is FC(F)(F)c1cccnn1.
What is the InChIKey of 3-(trifluoromethyl)pyridazine?
The InChIKey is VVQHIHPZHJQYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F3N2/c6-5(7,8)4-2-1-3-9-10-4/h1-3H.
What are the key properties of 3-(trifluoromethyl)pyridazine?
3-(trifluoromethyl)pyridazine has a molecular weight of 148.09 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyridazine is sourced from PubChem (CID 20691951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).