2-(1,2,2-trifluoroethyl)pyridazin-3-one

C6H5F3N2O — CID 174406516

IUPAC2-(1,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1cccnn1C(F)C(F)F
InChIInChI=1S/C6H5F3N2O/c7-5(8)6(9)11-4(12)2-1-3-10-11/h1-3,5-6H
InChIKeyFGQZADGHCTWQDM-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.98
Rot. Bonds2

About 2-(1,2,2-trifluoroethyl)pyridazin-3-one

2-(1,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 174406516) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2-(1,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(1,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID174406516
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2-(1,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1cccnn1C(F)C(F)F
InChIInChI=1S/C6H5F3N2O/c7-5(8)6(9)11-4(12)2-1-3-10-11/h1-3,5-6H
InChIKeyFGQZADGHCTWQDM-UHFFFAOYSA-N
XLogP0.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methylpyridazin-3(2H)-one
CID 12200169
3(2H)-Pyridazinone, 2-(2-propenyl)-
CID 12237248
2-(Trifluoromethyl)pyridazin-3-one
CID 68733746
2-(1,1,2,2,2-Pentafluoroethyl)pyridazin-3-one
CID 87553831
2-(2,2,2-Trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 91321894
2-(2,2-Difluoroethyl)-5-iodopyridazin-3-one
CID 114553445
2-(Fluoromethyl)pyridazin-3-one
CID 140988504
2-(4,4,4-Trifluorobutyl)pyridazin-3-one
CID 144132334
2-Ethylpyridazin-3-one;2,2,2-trifluoroacetic acid
CID 160105808
6-Chloro-2-(2,2-difluoroethyl)pyridazin-3-one
CID 165172490
6-Bromo-2-(2-fluoroethyl)pyridazin-3-one
CID 165406402
2-(2,2,2-Trifluoroethyl)-6-trimethylstannylpyridazin-3-one
CID 172272402

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 2-(1,2,2-trifluoroethyl)pyridazin-3-one (CID 174406516) is 2-(1,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 2-(1,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 2-(1,2,2-trifluoroethyl)pyridazin-3-one is O=c1cccnn1C(F)C(F)F.
What is the InChIKey of 2-(1,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is FGQZADGHCTWQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-5(8)6(9)11-4(12)2-1-3-10-11/h1-3,5-6H.
What are the key properties of 2-(1,2,2-trifluoroethyl)pyridazin-3-one?
2-(1,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 178.11 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 174406516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).