6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine

C7H6ClF4N3 — CID 106296475

IUPAC6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine
SMILESFC(F)C(F)(F)CNc1cnnc(Cl)c1
InChIInChI=1S/C7H6ClF4N3/c8-5-1-4(2-14-15-5)13-3-7(11,12)6(9)10/h1-2,6H,3H2,(H,13,15)
InChIKeyNUYWDJARIIVAHM-UHFFFAOYSA-N
MW243.59 g/mol
LogP2.44
Rot. Bonds4

About 6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine

6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine (PubChem CID 106296475) has the molecular formula C7H6ClF4N3 and a molecular weight of 243.59 g/mol. Its IUPAC name is 6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine
PubChem CID106296475
Molecular FormulaC7H6ClF4N3
Molecular Weight243.59 g/mol
Exact Mass243.02
IUPAC Name6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine
SMILESFC(F)C(F)(F)CNc1cnnc(Cl)c1
InChIInChI=1S/C7H6ClF4N3/c8-5-1-4(2-14-15-5)13-3-7(11,12)6(9)10/h1-2,6H,3H2,(H,13,15)
InChIKeyNUYWDJARIIVAHM-UHFFFAOYSA-N
XLogP2.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.59
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine?
The IUPAC name of 6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine (CID 106296475) is 6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine.
What is the SMILES notation for 6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine?
The canonical SMILES for 6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine is FC(F)C(F)(F)CNc1cnnc(Cl)c1.
What is the InChIKey of 6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine?
The InChIKey is NUYWDJARIIVAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF4N3/c8-5-1-4(2-14-15-5)13-3-7(11,12)6(9)10/h1-2,6H,3H2,(H,13,15).
What are the key properties of 6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine?
6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine has a molecular weight of 243.59 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2,2,3,3-tetrafluoropropyl)pyridazin-4-amine is sourced from PubChem (CID 106296475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).