6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid

C8H6F4N2O3 — CID 60791489

IUPAC6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCC(F)(F)C(F)F)nn1
InChIInChI=1S/C8H6F4N2O3/c9-7(10)8(11,12)3-17-5-2-1-4(6(15)16)13-14-5/h1-2,7H,3H2,(H,15,16)
InChIKeyJJUPLUHLJQEDTF-UHFFFAOYSA-N
MW254.14 g/mol
LogP1.45
Rot. Bonds5

About 6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid

6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid (PubChem CID 60791489) has the molecular formula C8H6F4N2O3 and a molecular weight of 254.14 g/mol. Its IUPAC name is 6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid
PubChem CID60791489
Molecular FormulaC8H6F4N2O3
Molecular Weight254.14 g/mol
Exact Mass254.03
IUPAC Name6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(OCC(F)(F)C(F)F)nn1
InChIInChI=1S/C8H6F4N2O3/c9-7(10)8(11,12)3-17-5-2-1-4(6(15)16)13-14-5/h1-2,7H,3H2,(H,15,16)
InChIKeyJJUPLUHLJQEDTF-UHFFFAOYSA-N
XLogP1.45
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid (CID 60791489) is 6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid is O=C(O)c1ccc(OCC(F)(F)C(F)F)nn1.
What is the InChIKey of 6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid?
The InChIKey is JJUPLUHLJQEDTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F4N2O3/c9-7(10)8(11,12)3-17-5-2-1-4(6(15)16)13-14-5/h1-2,7H,3H2,(H,15,16).
What are the key properties of 6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid?
6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid has a molecular weight of 254.14 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,3,3-tetrafluoropropoxy)pyridazine-3-carboxylic acid is sourced from PubChem (CID 60791489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).