N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine

C10H13F4N3O — CID 55058823

IUPACN-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(OCC(F)(F)C(F)F)nn1
InChIInChI=1S/C10H13F4N3O/c1-2-15-5-7-3-4-8(17-16-7)18-6-10(13,14)9(11)12/h3-4,9,15H,2,5-6H2,1H3
InChIKeyCTPZTLQOLJJZCD-UHFFFAOYSA-N
MW267.23 g/mol
LogP1.87
Rot. Bonds7

About N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine

N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine (PubChem CID 55058823) has the molecular formula C10H13F4N3O and a molecular weight of 267.23 g/mol. Its IUPAC name is N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine
PubChem CID55058823
Molecular FormulaC10H13F4N3O
Molecular Weight267.23 g/mol
Exact Mass267.10
IUPAC NameN-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(OCC(F)(F)C(F)F)nn1
InChIInChI=1S/C10H13F4N3O/c1-2-15-5-7-3-4-8(17-16-7)18-6-10(13,14)9(11)12/h3-4,9,15H,2,5-6H2,1H3
InChIKeyCTPZTLQOLJJZCD-UHFFFAOYSA-N
XLogP1.87
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.23
LogP ≤ 51.87
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 N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine (CID 55058823) is N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(OCC(F)(F)C(F)F)nn1.
What is the InChIKey of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is CTPZTLQOLJJZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3O/c1-2-15-5-7-3-4-8(17-16-7)18-6-10(13,14)9(11)12/h3-4,9,15H,2,5-6H2,1H3.
What are the key properties of N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine?
N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 267.23 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 55058823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).