6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine

C8H9ClF3N3 — CID 115520523

IUPAC6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine
SMILESFC(F)(F)CCCNc1ccc(Cl)nn1
InChIInChI=1S/C8H9ClF3N3/c9-6-2-3-7(15-14-6)13-5-1-4-8(10,11)12/h2-3H,1,4-5H2,(H,13,15)
InChIKeyXWLMMMVRCPUVHG-UHFFFAOYSA-N
MW239.63 g/mol
LogP2.88
Rot. Bonds4

About 6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine

6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine (PubChem CID 115520523) has the molecular formula C8H9ClF3N3 and a molecular weight of 239.63 g/mol. Its IUPAC name is 6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine
PubChem CID115520523
Molecular FormulaC8H9ClF3N3
Molecular Weight239.63 g/mol
Exact Mass239.04
IUPAC Name6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine
SMILESFC(F)(F)CCCNc1ccc(Cl)nn1
InChIInChI=1S/C8H9ClF3N3/c9-6-2-3-7(15-14-6)13-5-1-4-8(10,11)12/h2-3H,1,4-5H2,(H,13,15)
InChIKeyXWLMMMVRCPUVHG-UHFFFAOYSA-N
XLogP2.88
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.63
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine?
The IUPAC name of 6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine (CID 115520523) is 6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine.
What is the SMILES notation for 6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine?
The canonical SMILES for 6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine is FC(F)(F)CCCNc1ccc(Cl)nn1.
What is the InChIKey of 6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine?
The InChIKey is XWLMMMVRCPUVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClF3N3/c9-6-2-3-7(15-14-6)13-5-1-4-8(10,11)12/h2-3H,1,4-5H2,(H,13,15).
What are the key properties of 6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine?
6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine has a molecular weight of 239.63 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4,4,4-trifluorobutyl)pyridazin-3-amine is sourced from PubChem (CID 115520523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).