6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

C18H21F3N2O — CID 143897182

IUPAC6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCCCc1ccc(-c2ccc(=O)n(CC(F)(F)F)n2)cc1CCC
InChIInChI=1S/C18H21F3N2O/c1-3-5-13-7-8-15(11-14(13)6-4-2)16-9-10-17(24)23(22-16)12-18(19,20)21/h7-11H,3-6,12H2,1-2H3
InChIKeyMEHXQPUYBUECJO-UHFFFAOYSA-N
MW338.37 g/mol
LogP4.38
Rot. Bonds6

About 6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one

6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 143897182) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is 6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID143897182
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one
SMILESCCCc1ccc(-c2ccc(=O)n(CC(F)(F)F)n2)cc1CCC
InChIInChI=1S/C18H21F3N2O/c1-3-5-13-7-8-15(11-14(13)6-4-2)16-9-10-17(24)23(22-16)12-18(19,20)21/h7-11H,3-6,12H2,1-2H3
InChIKeyMEHXQPUYBUECJO-UHFFFAOYSA-N
XLogP4.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one (CID 143897182) is 6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is CCCc1ccc(-c2ccc(=O)n(CC(F)(F)F)n2)cc1CCC.
What is the InChIKey of 6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is MEHXQPUYBUECJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-3-5-13-7-8-15(11-14(13)6-4-2)16-9-10-17(24)23(22-16)12-18(19,20)21/h7-11H,3-6,12H2,1-2H3.
What are the key properties of 6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one?
6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 338.37 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dipropylphenyl)-2-(2,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 143897182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).