5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine

C17H11F3N2 — CID 86184472

IUPAC5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1cccc(-c2cc(-c3ccccc3)cnn2)c1
InChIInChI=1S/C17H11F3N2/c18-17(19,20)15-8-4-7-13(9-15)16-10-14(11-21-22-16)12-5-2-1-3-6-12/h1-11H
InChIKeyYRQAZQGTXIMQFM-UHFFFAOYSA-N
MW300.28 g/mol
LogP4.83
Rot. Bonds2

About 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine

5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine (PubChem CID 86184472) has the molecular formula C17H11F3N2 and a molecular weight of 300.28 g/mol. Its IUPAC name is 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine.

Molecular Properties

Compound Name5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine
PubChem CID86184472
Molecular FormulaC17H11F3N2
Molecular Weight300.28 g/mol
Exact Mass300.09
IUPAC Name5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine
SMILESFC(F)(F)c1cccc(-c2cc(-c3ccccc3)cnn2)c1
InChIInChI=1S/C17H11F3N2/c18-17(19,20)15-8-4-7-13(9-15)16-10-14(11-21-22-16)12-5-2-1-3-6-12/h1-11H
InChIKeyYRQAZQGTXIMQFM-UHFFFAOYSA-N
XLogP4.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine?
The IUPAC name of 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine (CID 86184472) is 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine.
What is the SMILES notation for 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine?
The canonical SMILES for 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine is FC(F)(F)c1cccc(-c2cc(-c3ccccc3)cnn2)c1.
What is the InChIKey of 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine?
The InChIKey is YRQAZQGTXIMQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N2/c18-17(19,20)15-8-4-7-13(9-15)16-10-14(11-21-22-16)12-5-2-1-3-6-12/h1-11H.
What are the key properties of 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine?
5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine has a molecular weight of 300.28 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-[3-(trifluoromethyl)phenyl]pyridazine is sourced from PubChem (CID 86184472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).