N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine

C8H12F2N4 — CID 107493976

IUPACN'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine
SMILESNCCN(CC(F)F)c1cccnn1
InChIInChI=1S/C8H12F2N4/c9-7(10)6-14(5-3-11)8-2-1-4-12-13-8/h1-2,4,7H,3,5-6,11H2
InChIKeyIBQXMSQLJIZBJE-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.51
Rot. Bonds5

About N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine

N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine (PubChem CID 107493976) has the molecular formula C8H12F2N4 and a molecular weight of 202.21 g/mol. Its IUPAC name is N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine
PubChem CID107493976
Molecular FormulaC8H12F2N4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC NameN'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine
SMILESNCCN(CC(F)F)c1cccnn1
InChIInChI=1S/C8H12F2N4/c9-7(10)6-14(5-3-11)8-2-1-4-12-13-8/h1-2,4,7H,3,5-6,11H2
InChIKeyIBQXMSQLJIZBJE-UHFFFAOYSA-N
XLogP0.51
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine?
The IUPAC name of N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine (CID 107493976) is N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine.
What is the SMILES notation for N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine?
The canonical SMILES for N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine is NCCN(CC(F)F)c1cccnn1.
What is the InChIKey of N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine?
The InChIKey is IBQXMSQLJIZBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N4/c9-7(10)6-14(5-3-11)8-2-1-4-12-13-8/h1-2,4,7H,3,5-6,11H2.
What are the key properties of N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine?
N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine has a molecular weight of 202.21 g/mol, XLogP of 0.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2-difluoroethyl)-N'-pyridazin-3-ylethane-1,2-diamine is sourced from PubChem (CID 107493976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).