1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone

C6H2ClF3N2O — CID 112757097

IUPAC1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C6H2ClF3N2O/c7-4-2-1-3(11-12-4)5(13)6(8,9)10/h1-2H
InChIKeyCXCDOFGRXDRGTR-UHFFFAOYSA-N
MW210.54 g/mol
LogP1.88
Rot. Bonds1

About 1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone

1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone (PubChem CID 112757097) has the molecular formula C6H2ClF3N2O and a molecular weight of 210.54 g/mol. Its IUPAC name is 1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone
PubChem CID112757097
Molecular FormulaC6H2ClF3N2O
Molecular Weight210.54 g/mol
Exact Mass209.98
IUPAC Name1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone
SMILESO=C(c1ccc(Cl)nn1)C(F)(F)F
InChIInChI=1S/C6H2ClF3N2O/c7-4-2-1-3(11-12-4)5(13)6(8,9)10/h1-2H
InChIKeyCXCDOFGRXDRGTR-UHFFFAOYSA-N
XLogP1.88
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.54
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone (CID 112757097) is 1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone is O=C(c1ccc(Cl)nn1)C(F)(F)F.
What is the InChIKey of 1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone?
The InChIKey is CXCDOFGRXDRGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2ClF3N2O/c7-4-2-1-3(11-12-4)5(13)6(8,9)10/h1-2H.
What are the key properties of 1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone?
1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone has a molecular weight of 210.54 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloropyridazin-3-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 112757097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).