1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone

C13H9F3N2O — CID 10849344

IUPAC1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone
SMILESCC(=O)c1cnnc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H9F3N2O/c1-8(19)10-6-12(18-17-7-10)9-3-2-4-11(5-9)13(14,15)16/h2-7H,1H3
InChIKeyVRICAECNSBKWAL-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.37
Rot. Bonds2

About 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone

1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone (PubChem CID 10849344) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone.

Molecular Properties

Compound Name1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone
PubChem CID10849344
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone
SMILESCC(=O)c1cnnc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H9F3N2O/c1-8(19)10-6-12(18-17-7-10)9-3-2-4-11(5-9)13(14,15)16/h2-7H,1H3
InChIKeyVRICAECNSBKWAL-UHFFFAOYSA-N
XLogP3.37
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone?
The IUPAC name of 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone (CID 10849344) is 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone.
What is the SMILES notation for 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone?
The canonical SMILES for 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone is CC(=O)c1cnnc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone?
The InChIKey is VRICAECNSBKWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c1-8(19)10-6-12(18-17-7-10)9-3-2-4-11(5-9)13(14,15)16/h2-7H,1H3.
What are the key properties of 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone?
1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone has a molecular weight of 266.22 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[3-(trifluoromethyl)phenyl]pyridazin-4-yl]ethanone is sourced from PubChem (CID 10849344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).