N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine

C8H11F2N3O — CID 163382654

IUPACN-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(OC(F)F)nn1
InChIInChI=1S/C8H11F2N3O/c1-2-11-5-6-3-4-7(13-12-6)14-8(9)10/h3-4,8,11H,2,5H2,1H3
InChIKeyBMBBXSNWXFFRCJ-UHFFFAOYSA-N
MW203.19 g/mol
LogP1.19
Rot. Bonds5

About N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine

N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine (PubChem CID 163382654) has the molecular formula C8H11F2N3O and a molecular weight of 203.19 g/mol. Its IUPAC name is N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine
PubChem CID163382654
Molecular FormulaC8H11F2N3O
Molecular Weight203.19 g/mol
Exact Mass203.09
IUPAC NameN-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine
SMILESCCNCc1ccc(OC(F)F)nn1
InChIInChI=1S/C8H11F2N3O/c1-2-11-5-6-3-4-7(13-12-6)14-8(9)10/h3-4,8,11H,2,5H2,1H3
InChIKeyBMBBXSNWXFFRCJ-UHFFFAOYSA-N
XLogP1.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine (CID 163382654) is N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine is CCNCc1ccc(OC(F)F)nn1.
What is the InChIKey of N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine?
The InChIKey is BMBBXSNWXFFRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O/c1-2-11-5-6-3-4-7(13-12-6)14-8(9)10/h3-4,8,11H,2,5H2,1H3.
What are the key properties of N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine?
N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine has a molecular weight of 203.19 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(difluoromethoxy)pyridazin-3-yl]methyl]ethanamine is sourced from PubChem (CID 163382654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).