4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine

C14H11F3N2O — CID 19959664

IUPAC4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine
SMILESC=Cc1c(OC)cnnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c1-3-11-12(20-2)8-18-19-13(11)9-5-4-6-10(7-9)14(15,16)17/h3-8H,1H2,2H3
InChIKeyISVRFPCNXIOWEV-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.81
Rot. Bonds3

About 4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine

4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 19959664) has the molecular formula C14H11F3N2O and a molecular weight of 280.25 g/mol. Its IUPAC name is 4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID19959664
Molecular FormulaC14H11F3N2O
Molecular Weight280.25 g/mol
Exact Mass280.08
IUPAC Name4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine
SMILESC=Cc1c(OC)cnnc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11F3N2O/c1-3-11-12(20-2)8-18-19-13(11)9-5-4-6-10(7-9)14(15,16)17/h3-8H,1H2,2H3
InChIKeyISVRFPCNXIOWEV-UHFFFAOYSA-N
XLogP3.81
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine (CID 19959664) is 4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine is C=Cc1c(OC)cnnc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is ISVRFPCNXIOWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O/c1-3-11-12(20-2)8-18-19-13(11)9-5-4-6-10(7-9)14(15,16)17/h3-8H,1H2,2H3.
What are the key properties of 4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine?
4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 280.25 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-methoxy-3-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 19959664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).