2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione

C6H5F3N2O2 — CID 138715541

IUPAC2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CC(F)(F)F)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-5(13)2-1-4(12)10-11/h1-2H,3H2,(H,10,12)
InChIKeyFDQWTXRWILFMMJ-UHFFFAOYSA-N
MW194.11 g/mol
LogP0.10
Rot. Bonds1

About 2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione

2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione (PubChem CID 138715541) has the molecular formula C6H5F3N2O2 and a molecular weight of 194.11 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione
PubChem CID138715541
Molecular FormulaC6H5F3N2O2
Molecular Weight194.11 g/mol
Exact Mass194.03
IUPAC Name2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione
SMILESO=c1ccc(=O)n(CC(F)(F)F)[nH]1
InChIInChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-5(13)2-1-4(12)10-11/h1-2H,3H2,(H,10,12)
InChIKeyFDQWTXRWILFMMJ-UHFFFAOYSA-N
XLogP0.10
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.11
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-Dihydro-3,6-dioxo-1(2H)-pyridazinepropanenitrile
CID 580599
1-(2-Bromoethyl)-1,2,3,6-tetrahydropyridazine-3,6-dione
CID 24688547
1-(Prop-2-en-1-yl)-1,2-dihydropyridazine-3,6-dione
CID 12843593
2-(3-amino-1,1,1-trifluoropropan-2-yl)-1H-pyridazine-3,6-dione
CID 43752784
2-(4-amino-1,1,1-trifluorobutan-2-yl)-1H-pyridazine-3,6-dione
CID 43753206
2-[2-(aminomethyl)-3,3,3-trifluoropropyl]-1H-pyridazine-3,6-dione
CID 103366512
2-[(3,6-dioxo-1H-pyridazin-2-yl)methyl]-3,3,3-trifluoropropanenitrile
CID 103368079
2-(3,6-dioxo-1H-pyridazin-2-yl)acetamide
CID 3595132
6-hydroxy-2-isopropyl-3(2H)-pyridazinone
CID 11378616
2-ethyl-1H-pyridazine-3,6-dione
CID 12289925
1-(2-Aminoethyl)-1,2-dihydropyridazine-3,6-dione
CID 16782851
CID 58044780
CID 58044780

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione?
The IUPAC name of 2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione (CID 138715541) is 2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione.
What is the SMILES notation for 2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione?
The canonical SMILES for 2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione is O=c1ccc(=O)n(CC(F)(F)F)[nH]1.
What is the InChIKey of 2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione?
The InChIKey is FDQWTXRWILFMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O2/c7-6(8,9)3-11-5(13)2-1-4(12)10-11/h1-2H,3H2,(H,10,12).
What are the key properties of 2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione?
2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione has a molecular weight of 194.11 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethyl)-1H-pyridazine-3,6-dione is sourced from PubChem (CID 138715541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).