[3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone

C12H6F4N2O — CID 107291233

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C12H6F4N2O/c13-10-5-7(1-2-9(10)12(14,15)16)11(19)8-3-4-17-18-6-8/h1-6H
InChIKeyFFQZDYVNQPUJLN-UHFFFAOYSA-N
MW270.19 g/mol
LogP2.87
Rot. Bonds2

About [3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone

[3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone (PubChem CID 107291233) has the molecular formula C12H6F4N2O and a molecular weight of 270.19 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone
PubChem CID107291233
Molecular FormulaC12H6F4N2O
Molecular Weight270.19 g/mol
Exact Mass270.04
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone
SMILESO=C(c1ccnnc1)c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C12H6F4N2O/c13-10-5-7(1-2-9(10)12(14,15)16)11(19)8-3-4-17-18-6-8/h1-6H
InChIKeyFFQZDYVNQPUJLN-UHFFFAOYSA-N
XLogP2.87
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone (CID 107291233) is [3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone is O=C(c1ccnnc1)c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone?
The InChIKey is FFQZDYVNQPUJLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F4N2O/c13-10-5-7(1-2-9(10)12(14,15)16)11(19)8-3-4-17-18-6-8/h1-6H.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone?
[3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone has a molecular weight of 270.19 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 107291233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).