5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one

C6H4F4N2O — CID 54400656

IUPAC5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(F)c1C(F)(F)F
InChIInChI=1S/C6H4F4N2O/c1-2-3(6(8,9)10)4(7)5(13)12-11-2/h1H3,(H,12,13)
InChIKeyVNESCRFWUYLHFY-UHFFFAOYSA-N
MW196.10 g/mol
LogP1.24
Rot. Bonds

About 5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one

5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 54400656) has the molecular formula C6H4F4N2O and a molecular weight of 196.10 g/mol. Its IUPAC name is 5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID54400656
Molecular FormulaC6H4F4N2O
Molecular Weight196.10 g/mol
Exact Mass196.03
IUPAC Name5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCc1n[nH]c(=O)c(F)c1C(F)(F)F
InChIInChI=1S/C6H4F4N2O/c1-2-3(6(8,9)10)4(7)5(13)12-11-2/h1H3,(H,12,13)
InChIKeyVNESCRFWUYLHFY-UHFFFAOYSA-N
XLogP1.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.10
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one (CID 54400656) is 5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one is Cc1n[nH]c(=O)c(F)c1C(F)(F)F.
What is the InChIKey of 5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is VNESCRFWUYLHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F4N2O/c1-2-3(6(8,9)10)4(7)5(13)12-11-2/h1H3,(H,12,13).
What are the key properties of 5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one?
5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 196.10 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-4-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 54400656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).