1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione

C169H116F36N10O31S11 — CID 161495206

About 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione

1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione (PubChem CID 161495206) has the molecular formula C169H116F36N10O31S11 and a molecular weight of 3819.49 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione.

Molecular Properties

• Compound Name: 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione
• PubChem CID: 161495206
• Molecular Formula: C169H116F36N10O31S11
• Molecular Weight: 3819.49 g/mol
• Exact Mass: 3816.42
• IUPAC Name: 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione
• SMILES: Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)SC(F)(F)C(F)(F)O3)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)SC(F)(F)C(F)(F)O3)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)SC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ccc2c(c1)SC(F)(F)C(F)(F)O2)c1cncnc1.O=C(CCC(=O)c1ccc2c(c1)SCCO2)c1ccnnc1.O=C(CCC(=O)c1cccnn1)c1ccc2c(c1)SC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ccco1)c1ccc2c(c1)SC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1cccs1)c1ccc2c(c1)SC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ccncn1)c1ccc2c(c1)SC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ncccn1)c1ccc2c(c1)SC(F)(F)C(F)(F)O2
• InChI: InChI=1S/3C19H14F4O3S.4C16H10F4N2O3S.C16H10F4O4S.C16H10F4O3S2.C16H14N2O3S/c1-11-2-4-12(5-3-11)14(24)7-8-15(25)13-6-9-16-17(10-13)27-19(22,23)18(20,21)26-16;1-11-3-2-4-12(9-11)14(24)6-7-15(25)13-5-8-16-17(10-13)27-19(22,23)18(20,21)26-16;1-11-4-2-3-5-13(11)15(25)8-7-14(24)12-6-9-16-17(10-12)27-19(22,23)18(20,21)26-16;17-15(18)16(19,20)26-13-8-9(2-5-12(13)25-15)10(23)3-4-11(24)14-21-6-1-7-22-14;17-15(18)16(19,20)26-14-5-9(1-4-13(14)25-15)11(23)2-3-12(24)10-6-21-8-22-7-10;17-15(18)16(19,20)26-14-7-9(1-4-13(14)25-15)11(23)2-3-12(24)10-5-6-21-8-22-10;17-15(18)16(19,20)26-14-8-9(3-6-13(14)25-15)11(23)4-5-12(24)10-2-1-7-21-22-10;17-15(18)16(19,20)25-14-8-9(3-6-13(14)24-15)10(21)4-5-11(22)12-2-1-7-23-12;17-15(18)16(19,20)25-14-8-9(3-6-12(14)23-15)10(21)4-5-11(22)13-2-1-7-24-13;19-13(2-3-14(20)12-5-6-17-18-10-12)11-1-4-15-16(9-11)22-8-7-21-15/h2-6,9-10H,7-8H2,1H3;2-5,8-10H,6-7H2,1H3;2-6,9-10H,7-8H2,1H3;1-2,5-8H,3-4H2;2*1,4-8H,2-3H2;1-3,6-8H,4-5H2;2*1-3,6-8H,4-5H2;1,4-6,9-10H,2-3,7-8H2
• InChIKey: WGCKFFSYXKJXBQ-UHFFFAOYSA-N
• XLogP: 45.37
• TPSA: 575.74 Ų
• H-Bond Acceptors: 52
• Rotatable Bonds: 50
• Heavy Atoms: 257
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3819.49
LogP ≤ 5	45.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione?

The IUPAC name of 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione (CID 161495206) is 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione.

What is the SMILES notation for 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione?

The canonical SMILES for 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione is Cc1ccc(C(=O)CCC(=O)c2ccc3c(c2)SC(F)(F)C(F)(F)O3)cc1.Cc1cccc(C(=O)CCC(=O)c2ccc3c(c2)SC(F)(F)C(F)(F)O3)c1.Cc1ccccc1C(=O)CCC(=O)c1ccc2c(c1)SC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ccc2c(c1)SC(F)(F)C(F)(F)O2)c1cncnc1.O=C(CCC(=O)c1ccc2c(c1)SCCO2)c1ccnnc1.O=C(CCC(=O)c1cccnn1)c1ccc2c(c1)SC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ccco1)c1ccc2c(c1)SC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1cccs1)c1ccc2c(c1)SC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ccncn1)c1ccc2c(c1)SC(F)(F)C(F)(F)O2.O=C(CCC(=O)c1ncccn1)c1ccc2c(c1)SC(F)(F)C(F)(F)O2.

What is the InChIKey of 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione?

The InChIKey is WGCKFFSYXKJXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C19H14F4O3S.4C16H10F4N2O3S.C16H10F4O4S.C16H10F4O3S2.C16H14N2O3S/c1-11-2-4-12(5-3-11)14(24)7-8-15(25)13-6-9-16-17(10-13)27-19(22,23)18(20,21)26-16;1-11-3-2-4-12(9-11)14(24)6-7-15(25)13-5-8-16-17(10-13)27-19(22,23)18(20,21)26-16;1-11-4-2-3-5-13(11)15(25)8-7-14(24)12-6-9-16-17(10-12)27-19(22,23)18(20,21)26-16;17-15(18)16(19,20)26-13-8-9(2-5-12(13)25-15)10(23)3-4-11(24)14-21-6-1-7-22-14;17-15(18)16(19,20)26-14-5-9(1-4-13(14)25-15)11(23)2-3-12(24)10-6-21-8-22-7-10;17-15(18)16(19,20)26-14-7-9(1-4-13(14)25-15)11(23)2-3-12(24)10-5-6-21-8-22-10;17-15(18)16(19,20)26-14-8-9(3-6-13(14)25-15)11(23)4-5-12(24)10-2-1-7-21-22-10;17-15(18)16(19,20)25-14-8-9(3-6-13(14)24-15)10(21)4-5-11(22)12-2-1-7-23-12;17-15(18)16(19,20)25-14-8-9(3-6-12(14)23-15)10(21)4-5-11(22)13-2-1-7-24-13;19-13(2-3-14(20)12-5-6-17-18-10-12)11-1-4-15-16(9-11)22-8-7-21-15/h2-6,9-10H,7-8H2,1H3;2-5,8-10H,6-7H2,1H3;2-6,9-10H,7-8H2,1H3;1-2,5-8H,3-4H2;2*1,4-8H,2-3H2;1-3,6-8H,4-5H2;2*1-3,6-8H,4-5H2;1,4-6,9-10H,2-3,7-8H2.

What are the key properties of 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione?

1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione has a molecular weight of 3819.49 g/mol, XLogP of 45.37, 50 rotatable bonds, 0 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,3-dihydro-1,4-benzoxathiin-6-yl)-4-pyridazin-4-ylbutane-1,4-dione;1-(furan-2-yl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(3-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(4-methylphenyl)-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyridazin-3-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-2-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-4-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-pyrimidin-5-yl-4-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)butane-1,4-dione;1-(2,2,3,3-tetrafluoro-1,4-benzoxathiin-6-yl)-4-thiophen-2-ylbutane-1,4-dione is sourced from PubChem (CID 161495206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).