6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine

C6H6ClF2N3 — CID 114478199

IUPAC6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine
SMILESFC(F)CNc1cnnc(Cl)c1
InChIInChI=1S/C6H6ClF2N3/c7-5-1-4(2-11-12-5)10-3-6(8)9/h1-2,6H,3H2,(H,10,12)
InChIKeyQNBUUTGYLDGFCO-UHFFFAOYSA-N
MW193.58 g/mol
LogP1.81
Rot. Bonds3

About 6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine

6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine (PubChem CID 114478199) has the molecular formula C6H6ClF2N3 and a molecular weight of 193.58 g/mol. Its IUPAC name is 6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine
PubChem CID114478199
Molecular FormulaC6H6ClF2N3
Molecular Weight193.58 g/mol
Exact Mass193.02
IUPAC Name6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine
SMILESFC(F)CNc1cnnc(Cl)c1
InChIInChI=1S/C6H6ClF2N3/c7-5-1-4(2-11-12-5)10-3-6(8)9/h1-2,6H,3H2,(H,10,12)
InChIKeyQNBUUTGYLDGFCO-UHFFFAOYSA-N
XLogP1.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine (CID 114478199) is 6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine is FC(F)CNc1cnnc(Cl)c1.
What is the InChIKey of 6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine?
The InChIKey is QNBUUTGYLDGFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClF2N3/c7-5-1-4(2-11-12-5)10-3-6(8)9/h1-2,6H,3H2,(H,10,12).
What are the key properties of 6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine?
6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine has a molecular weight of 193.58 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2-difluoroethyl)pyridazin-4-amine is sourced from PubChem (CID 114478199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).