6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine

C8H9F4N3 — CID 106294297

IUPAC6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine
SMILESCc1ccc(NCC(F)(F)C(F)F)nn1
InChIInChI=1S/C8H9F4N3/c1-5-2-3-6(15-14-5)13-4-8(11,12)7(9)10/h2-3,7H,4H2,1H3,(H,13,15)
InChIKeyQPBHSVKPRSRPBD-UHFFFAOYSA-N
MW223.17 g/mol
LogP2.10
Rot. Bonds4

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

6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine (PubChem CID 106294297) has the molecular formula C8H9F4N3 and a molecular weight of 223.17 g/mol. Its IUPAC name is 6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine.

Molecular Properties

Compound Name6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine
PubChem CID106294297
Molecular FormulaC8H9F4N3
Molecular Weight223.17 g/mol
Exact Mass223.07
IUPAC Name6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine
SMILESCc1ccc(NCC(F)(F)C(F)F)nn1
InChIInChI=1S/C8H9F4N3/c1-5-2-3-6(15-14-5)13-4-8(11,12)7(9)10/h2-3,7H,4H2,1H3,(H,13,15)
InChIKeyQPBHSVKPRSRPBD-UHFFFAOYSA-N
XLogP2.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.17
LogP ≤ 52.10
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-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine?
The IUPAC name of 6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine (CID 106294297) is 6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine.
What is the SMILES notation for 6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine?
The canonical SMILES for 6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine is Cc1ccc(NCC(F)(F)C(F)F)nn1.
What is the InChIKey of 6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine?
The InChIKey is QPBHSVKPRSRPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F4N3/c1-5-2-3-6(15-14-5)13-4-8(11,12)7(9)10/h2-3,7H,4H2,1H3,(H,13,15).
What are the key properties of 6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine?
6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine has a molecular weight of 223.17 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(2,2,3,3-tetrafluoropropyl)pyridazin-3-amine is sourced from PubChem (CID 106294297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).