3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine

C14H13F3N2O2 — CID 123849788

IUPAC3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine
SMILESFC(F)(F)Oc1cccc(CCCOc2cccnn2)c1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)21-12-6-1-4-11(10-12)5-3-9-20-13-7-2-8-18-19-13/h1-2,4,6-8,10H,3,5,9H2
InChIKeyZWMGZMPVLBIXLA-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.39
Rot. Bonds6

About 3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine

3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine (PubChem CID 123849788) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is 3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine.

Molecular Properties

Compound Name3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine
PubChem CID123849788
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine
SMILESFC(F)(F)Oc1cccc(CCCOc2cccnn2)c1
InChIInChI=1S/C14H13F3N2O2/c15-14(16,17)21-12-6-1-4-11(10-12)5-3-9-20-13-7-2-8-18-19-13/h1-2,4,6-8,10H,3,5,9H2
InChIKeyZWMGZMPVLBIXLA-UHFFFAOYSA-N
XLogP3.39
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-Isopropoxy-phenyl)-3-phenyl-pyridazine
CID 10401969
Credazine
CID 26715
3-(6-Ethoxy-pyridazin-4-yl)-benzonitrile
CID 11629964
4-Pyridazin-3-yloxybenzonitrile
CID 57402654
1-(4-Methoxyphenyl)-2-(4-pyridazynyl)ethylene
CID 5376016
3-Phenoxypyridazine
CID 599070
3-(Benzyloxy)-6-fluoropyridazine
CID 71405914
3-[(3,5-Dimethylphenyl)methoxy]-6-fluoropyridazine
CID 139221070
3-Fluoro-6-[(2-methoxyphenyl)methoxy]pyridazine
CID 139221071
3-Fluoro-6-[(2-fluorophenyl)methoxy]pyridazine
CID 139221074
3-Fluoro-6-[(3-fluorophenyl)methoxy]pyridazine
CID 139221075
3-Fluoro-6-[(4-fluorophenyl)methoxy]pyridazine
CID 139221076

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine?
The IUPAC name of 3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine (CID 123849788) is 3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine.
What is the SMILES notation for 3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine?
The canonical SMILES for 3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine is FC(F)(F)Oc1cccc(CCCOc2cccnn2)c1.
What is the InChIKey of 3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine?
The InChIKey is ZWMGZMPVLBIXLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c15-14(16,17)21-12-6-1-4-11(10-12)5-3-9-20-13-7-2-8-18-19-13/h1-2,4,6-8,10H,3,5,9H2.
What are the key properties of 3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine?
3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine has a molecular weight of 298.26 g/mol, XLogP of 3.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(trifluoromethoxy)phenyl]propoxy]pyridazine is sourced from PubChem (CID 123849788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).