4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one

C10H10ClF4N3O — CID 106293862

IUPAC4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one
SMILESC=CCn1ncc(NCC(F)(F)C(F)F)c(Cl)c1=O
InChIInChI=1S/C10H10ClF4N3O/c1-2-3-18-8(19)7(11)6(4-17-18)16-5-10(14,15)9(12)13/h2,4,9,16H,1,3,5H2
InChIKeyYHGMRLFVYNDILK-UHFFFAOYSA-N
MW299.66 g/mol
LogP2.39
Rot. Bonds6

About 4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one

4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one (PubChem CID 106293862) has the molecular formula C10H10ClF4N3O and a molecular weight of 299.66 g/mol. Its IUPAC name is 4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one
PubChem CID106293862
Molecular FormulaC10H10ClF4N3O
Molecular Weight299.66 g/mol
Exact Mass299.04
IUPAC Name4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one
SMILESC=CCn1ncc(NCC(F)(F)C(F)F)c(Cl)c1=O
InChIInChI=1S/C10H10ClF4N3O/c1-2-3-18-8(19)7(11)6(4-17-18)16-5-10(14,15)9(12)13/h2,4,9,16H,1,3,5H2
InChIKeyYHGMRLFVYNDILK-UHFFFAOYSA-N
XLogP2.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.66
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one (CID 106293862) is 4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one is C=CCn1ncc(NCC(F)(F)C(F)F)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one?
The InChIKey is YHGMRLFVYNDILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF4N3O/c1-2-3-18-8(19)7(11)6(4-17-18)16-5-10(14,15)9(12)13/h2,4,9,16H,1,3,5H2.
What are the key properties of 4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one?
4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one has a molecular weight of 299.66 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-prop-2-enyl-5-(2,2,3,3-tetrafluoropropylamino)pyridazin-3-one is sourced from PubChem (CID 106293862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).