4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C6H4ClF3N2O — CID 178099251

IUPAC4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)ccnn1CC(F)(F)F
InChIInChI=1S/C6H4ClF3N2O/c7-4-1-2-11-12(5(4)13)3-6(8,9)10/h1-2H,3H2
InChIKeyQBKVRWMGTYTGEI-UHFFFAOYSA-N
MW212.56 g/mol
LogP1.46
Rot. Bonds1

About 4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one

4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 178099251) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID178099251
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1c(Cl)ccnn1CC(F)(F)F
InChIInChI=1S/C6H4ClF3N2O/c7-4-1-2-11-12(5(4)13)3-6(8,9)10/h1-2H,3H2
InChIKeyQBKVRWMGTYTGEI-UHFFFAOYSA-N
XLogP1.46
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-Dichloro-2-(2,2,2-trifluoroethyl)-3(2H)-pyridazinone
CID 13881556
2-(2,2,2-Trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 91321894
6-Chloro-2-(2,2-difluoroethyl)pyridazin-3-one
CID 165172490
4-Chloro-2-(trifluoromethyl)pyridazin-3-one
CID 174258625
2-(1,2,2-Trifluoroethyl)pyridazin-3-one
CID 174406516
4,5-Dichloro-2-(1,2,2-trifluoroethyl)pyridazin-3-one
CID 175344533
2-(2,2,2-Trifluoroethyl)pyridazin-3-one;hydrochloride
CID 176084472
6-Chloro-2-ethyl-4-(trifluoromethyl)pyridazin-3-one
CID 176384830
6-Chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 177949117
4-Chloro-2-(2,2-difluoroethyl)pyridazin-3-one
CID 178099315
4,5-Dichloro-2-(difluoromethyl)pyridazin-3-one
CID 114386460
4,5-Dichloro-2-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114386472

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 178099251) is 4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one is O=c1c(Cl)ccnn1CC(F)(F)F.
What is the InChIKey of 4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is QBKVRWMGTYTGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c7-4-1-2-11-12(5(4)13)3-6(8,9)10/h1-2H,3H2.
What are the key properties of 4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 212.56 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 178099251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).