3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine

C7H5Cl2F4N3 — CID 106293372

IUPAC3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine
SMILESFC(F)C(F)(F)CNc1cc(Cl)nnc1Cl
InChIInChI=1S/C7H5Cl2F4N3/c8-4-1-3(5(9)16-15-4)14-2-7(12,13)6(10)11/h1,6H,2H2,(H,14,15)
InChIKeyPTUWUCALQFCUPI-UHFFFAOYSA-N
MW278.04 g/mol
LogP3.10
Rot. Bonds4

About 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine

3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine (PubChem CID 106293372) has the molecular formula C7H5Cl2F4N3 and a molecular weight of 278.04 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine.

Molecular Properties

Compound Name3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine
PubChem CID106293372
Molecular FormulaC7H5Cl2F4N3
Molecular Weight278.04 g/mol
Exact Mass276.98
IUPAC Name3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine
SMILESFC(F)C(F)(F)CNc1cc(Cl)nnc1Cl
InChIInChI=1S/C7H5Cl2F4N3/c8-4-1-3(5(9)16-15-4)14-2-7(12,13)6(10)11/h1,6H,2H2,(H,14,15)
InChIKeyPTUWUCALQFCUPI-UHFFFAOYSA-N
XLogP3.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.04
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine?
The IUPAC name of 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine (CID 106293372) is 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine.
What is the SMILES notation for 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine?
The canonical SMILES for 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine is FC(F)C(F)(F)CNc1cc(Cl)nnc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine?
The InChIKey is PTUWUCALQFCUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F4N3/c8-4-1-3(5(9)16-15-4)14-2-7(12,13)6(10)11/h1,6H,2H2,(H,14,15).
What are the key properties of 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine?
3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine has a molecular weight of 278.04 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine is sourced from PubChem (CID 106293372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).