[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol

C8H8F4N2O2 — CID 61255501

IUPAC[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol
SMILESOCc1ccc(OCC(F)(F)C(F)F)nn1
InChIInChI=1S/C8H8F4N2O2/c9-7(10)8(11,12)4-16-6-2-1-5(3-15)13-14-6/h1-2,7,15H,3-4H2
InChIKeyUEXTWQSKKGTDIM-UHFFFAOYSA-N
MW240.16 g/mol
LogP1.25
Rot. Bonds5

About [6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol

[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol (PubChem CID 61255501) has the molecular formula C8H8F4N2O2 and a molecular weight of 240.16 g/mol. Its IUPAC name is [6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol.

Molecular Properties

Compound Name[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol
PubChem CID61255501
Molecular FormulaC8H8F4N2O2
Molecular Weight240.16 g/mol
Exact Mass240.05
IUPAC Name[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol
SMILESOCc1ccc(OCC(F)(F)C(F)F)nn1
InChIInChI=1S/C8H8F4N2O2/c9-7(10)8(11,12)4-16-6-2-1-5(3-15)13-14-6/h1-2,7,15H,3-4H2
InChIKeyUEXTWQSKKGTDIM-UHFFFAOYSA-N
XLogP1.25
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(6-Methoxypyridazin-3-yl)methanol
CID 13227305
(6-(2,2,2-Trifluoroethoxy)pyridazin-3-yl)methanol
CID 61256334
(6-(2-(2-(2-Methoxyethoxy)ethoxy)ethoxy)pyridazin-3-yl)methanol
CID 104564146
[6-(2,2,2-Trifluoroethoxy)pyridazin-3-yl]methanamine dihydrochloride
CID 122156807
[6-(Propan-2-yloxy)pyridazin-3-yl]methanol hydrochloride
CID 137944356
6-(2,2,3,3-Tetrafluoropropoxy)pyridazine-3-carboxylic acid
CID 60791489
3-(6-Fluorohept-1-ynyl)-6-prop-2-enoxypyridazine
CID 67657677
3-(6-Fluorohept-1-enyl)-6-prop-2-enoxypyridazine
CID 67658231
6-(2,2,3,3,3-Pentafluoropropoxy)pyridazine-3-carboxylic acid
CID 89874004
(5-Methyl-6-(2,2,2-trifluoroethoxy)pyridazin-3-yl)methanol
CID 89874234
[5-Methyl-6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol
CID 90119295
3-Methyl-6-(2,2,2-trifluoroethoxy)pyridazine
CID 118066312

Frequently Asked Questions

What is the IUPAC name of [6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol?
The IUPAC name of [6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol (CID 61255501) is [6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol.
What is the SMILES notation for [6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol?
The canonical SMILES for [6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol is OCc1ccc(OCC(F)(F)C(F)F)nn1.
What is the InChIKey of [6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol?
The InChIKey is UEXTWQSKKGTDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O2/c9-7(10)8(11,12)4-16-6-2-1-5(3-15)13-14-6/h1-2,7,15H,3-4H2.
What are the key properties of [6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol?
[6-(2,2,3,3-tetrafluoropropoxy)pyridazin-3-yl]methanol has a molecular weight of 240.16 g/mol, XLogP of 1.25, 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)pyridazin-3-yl]methanol is sourced from PubChem (CID 61255501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).