[5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine

C12H17F4N3O — CID 80507745

IUPAC[5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine
SMILESCCc1nnc(OCC(F)(F)C(F)F)c(CN)c1CC
InChIInChI=1S/C12H17F4N3O/c1-3-7-8(5-17)10(19-18-9(7)4-2)20-6-12(15,16)11(13)14/h11H,3-6,17H2,1-2H3
InChIKeyMMTDWRJGQJYNOT-UHFFFAOYSA-N
MW295.28 g/mol
LogP2.34
Rot. Bonds7

About [5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine

[5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine (PubChem CID 80507745) has the molecular formula C12H17F4N3O and a molecular weight of 295.28 g/mol. Its IUPAC name is [5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine.

Molecular Properties

Compound Name[5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine
PubChem CID80507745
Molecular FormulaC12H17F4N3O
Molecular Weight295.28 g/mol
Exact Mass295.13
IUPAC Name[5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine
SMILESCCc1nnc(OCC(F)(F)C(F)F)c(CN)c1CC
InChIInChI=1S/C12H17F4N3O/c1-3-7-8(5-17)10(19-18-9(7)4-2)20-6-12(15,16)11(13)14/h11H,3-6,17H2,1-2H3
InChIKeyMMTDWRJGQJYNOT-UHFFFAOYSA-N
XLogP2.34
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
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 [5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine?
The IUPAC name of [5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine (CID 80507745) is [5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine.
What is the SMILES notation for [5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine?
The canonical SMILES for [5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine is CCc1nnc(OCC(F)(F)C(F)F)c(CN)c1CC.
What is the InChIKey of [5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine?
The InChIKey is MMTDWRJGQJYNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4N3O/c1-3-7-8(5-17)10(19-18-9(7)4-2)20-6-12(15,16)11(13)14/h11H,3-6,17H2,1-2H3.
What are the key properties of [5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine?
[5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine has a molecular weight of 295.28 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-diethyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazin-4-yl]methanamine is sourced from PubChem (CID 80507745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).