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

C7H5F4IN2O — CID 130526690

IUPAC5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one
SMILESO=c1cc(I)cnn1CC(F)(F)C(F)F
InChIInChI=1S/C7H5F4IN2O/c8-6(9)7(10,11)3-14-5(15)1-4(12)2-13-14/h1-2,6H,3H2
InChIKeyPVFPGCIXDFOGKZ-UHFFFAOYSA-N
MW336.03 g/mol
LogP1.75
Rot. Bonds3

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

5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one (PubChem CID 130526690) has the molecular formula C7H5F4IN2O and a molecular weight of 336.03 g/mol. Its IUPAC name is 5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one
PubChem CID130526690
Molecular FormulaC7H5F4IN2O
Molecular Weight336.03 g/mol
Exact Mass335.94
IUPAC Name5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one
SMILESO=c1cc(I)cnn1CC(F)(F)C(F)F
InChIInChI=1S/C7H5F4IN2O/c8-6(9)7(10,11)3-14-5(15)1-4(12)2-13-14/h1-2,6H,3H2
InChIKeyPVFPGCIXDFOGKZ-UHFFFAOYSA-N
XLogP1.75
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.03
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2,2-Trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 91321894
2-(2,2-Difluoroethyl)-5-iodopyridazin-3-one
CID 114553445
2-(1,2,2-Trifluoroethyl)pyridazin-3-one
CID 174406516
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-(4,4,4-trifluorobutyl)pyridazin-3-one
CID 114553552
5-Iodo-2-[2-(trifluoromethylsulfanyl)ethyl]pyridazin-3-one
CID 114553593
2-(2-Fluoroethyl)-5-iodopyridazin-3-one
CID 114553694
5-Iodo-2-[2-(trifluoromethoxy)ethyl]pyridazin-3-one
CID 114553723
2-(3-Fluoropropyl)-5-iodopyridazin-3-one
CID 114553726

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one?
The IUPAC name of 5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one (CID 130526690) is 5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one.
What is the SMILES notation for 5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one?
The canonical SMILES for 5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one is O=c1cc(I)cnn1CC(F)(F)C(F)F.
What is the InChIKey of 5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one?
The InChIKey is PVFPGCIXDFOGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4IN2O/c8-6(9)7(10,11)3-14-5(15)1-4(12)2-13-14/h1-2,6H,3H2.
What are the key properties of 5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one?
5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one has a molecular weight of 336.03 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(2,2,3,3-tetrafluoropropyl)pyridazin-3-one is sourced from PubChem (CID 130526690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).