3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine

C7H8F4N4 — CID 106296039

IUPAC3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine
SMILESNc1ccc(NCC(F)(F)C(F)F)nn1
InChIInChI=1S/C7H8F4N4/c8-6(9)7(10,11)3-13-5-2-1-4(12)14-15-5/h1-2,6H,3H2,(H2,12,14)(H,13,15)
InChIKeyZUFXNDZQMJWPMJ-UHFFFAOYSA-N
MW224.16 g/mol
LogP1.37
Rot. Bonds4

About 3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine

3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine (PubChem CID 106296039) has the molecular formula C7H8F4N4 and a molecular weight of 224.16 g/mol. Its IUPAC name is 3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine.

Molecular Properties

Compound Name3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine
PubChem CID106296039
Molecular FormulaC7H8F4N4
Molecular Weight224.16 g/mol
Exact Mass224.07
IUPAC Name3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine
SMILESNc1ccc(NCC(F)(F)C(F)F)nn1
InChIInChI=1S/C7H8F4N4/c8-6(9)7(10,11)3-13-5-2-1-4(12)14-15-5/h1-2,6H,3H2,(H2,12,14)(H,13,15)
InChIKeyZUFXNDZQMJWPMJ-UHFFFAOYSA-N
XLogP1.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine?
The IUPAC name of 3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine (CID 106296039) is 3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine.
What is the SMILES notation for 3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine?
The canonical SMILES for 3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine is Nc1ccc(NCC(F)(F)C(F)F)nn1.
What is the InChIKey of 3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine?
The InChIKey is ZUFXNDZQMJWPMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F4N4/c8-6(9)7(10,11)3-13-5-2-1-4(12)14-15-5/h1-2,6H,3H2,(H2,12,14)(H,13,15).
What are the key properties of 3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine?
3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine has a molecular weight of 224.16 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2,3,3-tetrafluoropropyl)pyridazine-3,6-diamine is sourced from PubChem (CID 106296039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).