4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane

C69H95B6F5N10O15Sn2 — CID 160635921

About 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane

4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane (PubChem CID 160635921) has the molecular formula C69H95B6F5N10O15Sn2 and a molecular weight of 1701.86 g/mol. Its IUPAC name is 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane.

Molecular Properties

• Compound Name: 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane
• PubChem CID: 160635921
• Molecular Formula: C69H95B6F5N10O15Sn2
• Molecular Weight: 1701.86 g/mol
• Exact Mass: 1704.55
• IUPAC Name: 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane
• SMILES: CC1(C)OB(c2cc(F)c(B3OC(C)(C)C(C)(C)O3)c3nonc23)OC1(C)C.CCCC[Sn](CCCC)(CCCC)c1c(F)cc(C)c2nonc12.COB(OC)c1c(F)cc(B(C)C)c2nonc12.Cc1cc(F)c([Sn](C)(C)C)c2nonc12.Fc1cc(B2OCCCO2)c2nonc2c1B1OCCCO1
• InChI: InChI=1S/C18H25B2FN2O5.C12H13B2FN2O5.C10H13B2FN2O3.2C7H4FN2O.3C4H9.3CH3.2Sn/c1-15(2)16(3,4)25-19(24-15)10-9-11(21)12(14-13(10)22-28-23-14)20-26-17(5,6)18(7,8)27-20;15-9-7-8(13-18-3-1-4-19-13)11-12(17-22-16-11)10(9)14-20-5-2-6-21-14;1-11(2)6-5-7(13)8(12(16-3)17-4)10-9(6)14-18-15-10;2*1-4-2-5(8)3-6-7(4)10-11-9-6;3*1-3-4-2;;;;;/h9H,1-8H3;7H,1-6H2;5H,1-4H3;2*2H,1H3;3*1,3-4H2,2H3;3*1H3
• InChIKey: RINMXVWCMLBERW-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 286.90 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 19
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1701.86
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane?

The IUPAC name of 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane (CID 160635921) is 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane.

What is the SMILES notation for 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane?

The canonical SMILES for 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane is CC1(C)OB(c2cc(F)c(B3OC(C)(C)C(C)(C)O3)c3nonc23)OC1(C)C.CCCC[Sn](CCCC)(CCCC)c1c(F)cc(C)c2nonc12.COB(OC)c1c(F)cc(B(C)C)c2nonc12.Cc1cc(F)c([Sn](C)(C)C)c2nonc12.Fc1cc(B2OCCCO2)c2nonc2c1B1OCCCO1.

What is the InChIKey of 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane?

The InChIKey is RINMXVWCMLBERW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25B2FN2O5.C12H13B2FN2O5.C10H13B2FN2O3.2C7H4FN2O.3C4H9.3CH3.2Sn/c1-15(2)16(3,4)25-19(24-15)10-9-11(21)12(14-13(10)22-28-23-14)20-26-17(5,6)18(7,8)27-20;15-9-7-8(13-18-3-1-4-19-13)11-12(17-22-16-11)10(9)14-20-5-2-6-21-14;1-11(2)6-5-7(13)8(12(16-3)17-4)10-9(6)14-18-15-10;2*1-4-2-5(8)3-6-7(4)10-11-9-6;3*1-3-4-2;;;;;/h9H,1-8H3;7H,1-6H2;5H,1-4H3;2*2H,1H3;3*1,3-4H2,2H3;3*1H3;;.

What are the key properties of 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane?

4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane has a molecular weight of 1701.86 g/mol, XLogP of 9.84, 19 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4,7-bis(1,3,2-dioxaborinan-2-yl)-5-fluoro-2,1,3-benzoxadiazole;(4-dimethoxyboranyl-5-fluoro-2,1,3-benzoxadiazol-7-yl)-dimethylborane;5-fluoro-4,7-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,1,3-benzoxadiazole;(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)-trimethylstannane;tributyl-(5-fluoro-7-methyl-2,1,3-benzoxadiazol-4-yl)stannane is sourced from PubChem (CID 160635921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).