4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine

C8H8F4N2O — CID 141389718

IUPAC4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine
SMILESCc1ccnnc1OCC(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2O/c1-5-2-3-13-14-6(5)15-4-8(11,12)7(9)10/h2-3,7H,4H2,1H3
InChIKeyLEVOUCNGOPZRCZ-UHFFFAOYSA-N
MW224.16 g/mol
LogP2.06
Rot. Bonds4

About 4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine

4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine (PubChem CID 141389718) has the molecular formula C8H8F4N2O and a molecular weight of 224.16 g/mol. Its IUPAC name is 4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine.

Molecular Properties

Compound Name4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine
PubChem CID141389718
Molecular FormulaC8H8F4N2O
Molecular Weight224.16 g/mol
Exact Mass224.06
IUPAC Name4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine
SMILESCc1ccnnc1OCC(F)(F)C(F)F
InChIInChI=1S/C8H8F4N2O/c1-5-2-3-13-14-6(5)15-4-8(11,12)7(9)10/h2-3,7H,4H2,1H3
InChIKeyLEVOUCNGOPZRCZ-UHFFFAOYSA-N
XLogP2.06
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methoxypyridazine
CID 292493
Ethoxypyrazine
CID 520878
3-Methoxy-5-methylpyridazine
CID 59693868
3-(2-Methoxyethoxy)pyridazine
CID 85682365
4-(6-Fluorohept-1-enyl)-3-prop-2-enoxypyridazine
CID 67644373
4-(6-Fluorohept-1-ynyl)-3-prop-2-enoxypyridazine
CID 67645262
3-(1,1,1,2,3,3-Hexafluoropropan-2-yloxy)pyridazine
CID 87242115
3-(1,1,1,3,3,3-Hexafluoropropan-2-yloxy)pyridazine
CID 87242116
5-(Difluoromethyl)-3-methoxypyridazine
CID 90115207
3-(Difluoromethoxy)-5-fluoropyridazine
CID 91333595
3-(Difluoromethoxy)-5-methylpyridazine
CID 91499460
3-(Difluoromethoxy)pyridazine
CID 91499566

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine?
The IUPAC name of 4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine (CID 141389718) is 4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine.
What is the SMILES notation for 4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine?
The canonical SMILES for 4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine is Cc1ccnnc1OCC(F)(F)C(F)F.
What is the InChIKey of 4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine?
The InChIKey is LEVOUCNGOPZRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O/c1-5-2-3-13-14-6(5)15-4-8(11,12)7(9)10/h2-3,7H,4H2,1H3.
What are the key properties of 4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine?
4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine has a molecular weight of 224.16 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2,2,3,3-tetrafluoropropoxy)pyridazine is sourced from PubChem (CID 141389718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).