3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine

C9H9F3N2O — CID 169267285

IUPAC3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine
SMILESC=C(OCC)c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C9H9F3N2O/c1-3-15-6(2)8-4-7(5-13-14-8)9(10,11)12/h4-5H,2-3H2,1H3
InChIKeyVBILEIDOMKEQLV-UHFFFAOYSA-N
MW218.18 g/mol
LogP2.50
Rot. Bonds3

About 3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine

3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine (PubChem CID 169267285) has the molecular formula C9H9F3N2O and a molecular weight of 218.18 g/mol. Its IUPAC name is 3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine.

Molecular Properties

Compound Name3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine
PubChem CID169267285
Molecular FormulaC9H9F3N2O
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine
SMILESC=C(OCC)c1cc(C(F)(F)F)cnn1
InChIInChI=1S/C9H9F3N2O/c1-3-15-6(2)8-4-7(5-13-14-8)9(10,11)12/h4-5H,2-3H2,1H3
InChIKeyVBILEIDOMKEQLV-UHFFFAOYSA-N
XLogP2.50
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-(a-Methoxybenzyl)pyridazine
CID 15684250
3-Methoxymethylpyridazine
CID 23080862
3-[(1,1-Difluoro-2,2-dimethylpropoxy)methyl]pyridazine
CID 58044468
3-(1,1-Difluoropropoxymethyl)pyridazine
CID 68081914
3-(1,1-Difluoroethoxymethyl)pyridazine
CID 90124958
3-(Difluoromethoxymethyl)pyridazine
CID 91051510
3-(1-Ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-methylpyridazine
CID 117864878
4-(1,1-Difluoroethyl)-3-(1-ethoxyethenyl)-6-methylpyridazine
CID 117865203
6-Tert-butyl-4-(1,1-difluoroethyl)-3-(1-ethoxyethenyl)pyridazine
CID 121391285
4-(1,1-Difluoroethyl)-3-(1-ethoxyethenyl)-6-propan-2-ylpyridazine
CID 123141761
3-(1-Ethoxyethenyl)-4-(2-fluoropropan-2-yl)-6-propan-2-ylpyridazine
CID 123964048
3-(1-Ethoxyethenyl)-6-(trifluoromethyl)pyridazine
CID 124107792

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine?
The IUPAC name of 3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine (CID 169267285) is 3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine.
What is the SMILES notation for 3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine?
The canonical SMILES for 3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine is C=C(OCC)c1cc(C(F)(F)F)cnn1.
What is the InChIKey of 3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine?
The InChIKey is VBILEIDOMKEQLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O/c1-3-15-6(2)8-4-7(5-13-14-8)9(10,11)12/h4-5H,2-3H2,1H3.
What are the key properties of 3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine?
3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine has a molecular weight of 218.18 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethenyl)-5-(trifluoromethyl)pyridazine is sourced from PubChem (CID 169267285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).