3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid

C8H4F6N2O3 — CID 102723373

IUPAC3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F6N2O3/c9-7(10,11)6(8(12,13)14)19-4-3(5(17)18)1-2-15-16-4/h1-2,6H,(H,17,18)
InChIKeyQEWYWEIBNROUTJ-UHFFFAOYSA-N
MW290.12 g/mol
LogP2.05
Rot. Bonds3

About 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid

3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid (PubChem CID 102723373) has the molecular formula C8H4F6N2O3 and a molecular weight of 290.12 g/mol. Its IUPAC name is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid
PubChem CID102723373
Molecular FormulaC8H4F6N2O3
Molecular Weight290.12 g/mol
Exact Mass290.01
IUPAC Name3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid
SMILESO=C(O)c1ccnnc1OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H4F6N2O3/c9-7(10,11)6(8(12,13)14)19-4-3(5(17)18)1-2-15-16-4/h1-2,6H,(H,17,18)
InChIKeyQEWYWEIBNROUTJ-UHFFFAOYSA-N
XLogP2.05
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid?
The IUPAC name of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid (CID 102723373) is 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid?
The canonical SMILES for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid is O=C(O)c1ccnnc1OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid?
The InChIKey is QEWYWEIBNROUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F6N2O3/c9-7(10,11)6(8(12,13)14)19-4-3(5(17)18)1-2-15-16-4/h1-2,6H,(H,17,18).
What are the key properties of 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid?
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid has a molecular weight of 290.12 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pyridazine-4-carboxylic acid is sourced from PubChem (CID 102723373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).