5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one

C7H6F3IN2O2 — CID 106705715

IUPAC5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one
SMILESO=c1cc(I)cnn1COCC(F)(F)F
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)3-15-4-13-6(14)1-5(11)2-12-13/h1-2H,3-4H2
InChIKeyWJHSUEOROMIECR-UHFFFAOYSA-N
MW334.04 g/mol
LogP1.38
Rot. Bonds3

About 5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one

5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one (PubChem CID 106705715) has the molecular formula C7H6F3IN2O2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one
PubChem CID106705715
Molecular FormulaC7H6F3IN2O2
Molecular Weight334.04 g/mol
Exact Mass333.94
IUPAC Name5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one
SMILESO=c1cc(I)cnn1COCC(F)(F)F
InChIInChI=1S/C7H6F3IN2O2/c8-7(9,10)3-15-4-13-6(14)1-5(11)2-12-13/h1-2H,3-4H2
InChIKeyWJHSUEOROMIECR-UHFFFAOYSA-N
XLogP1.38
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-Difluoroethyl)-5-iodopyridazin-3-one
CID 114553445
5-Iodo-2-(3,3,3-trifluoropropyl)pyridazin-3-one
CID 114553299
5-Iodo-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 114553308
2-(Difluoromethyl)-5-iodopyridazin-3-one
CID 114553367
5-Iodo-2-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 114553399
5-Iodo-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 114553648
5-Iodo-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
CID 114553723
5-Iodo-2-(methoxymethyl)pyridazin-3-one
CID 91619911
2-(Ethoxymethyl)-5-iodopyridazin-3-one
CID 114553389
5-Iodo-2-(propan-2-yloxymethyl)pyridazin-3-one
CID 130551548

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one (CID 106705715) is 5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one is O=c1cc(I)cnn1COCC(F)(F)F.
What is the InChIKey of 5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one?
The InChIKey is WJHSUEOROMIECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3IN2O2/c8-7(9,10)3-15-4-13-6(14)1-5(11)2-12-13/h1-2H,3-4H2.
What are the key properties of 5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one?
5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one has a molecular weight of 334.04 g/mol, XLogP of 1.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2,2,2-trifluoroethoxymethyl)pyridazin-3-one is sourced from PubChem (CID 106705715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).