sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium)

C80H86BBr2Cl4F7N7NaO15V6 — CID 167547452

About sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium)

sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium) (PubChem CID 167547452) has the molecular formula C80H86BBr2Cl4F7N7NaO15V6 and a molecular weight of 2160.68 g/mol. Its IUPAC name is sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium).

Molecular Properties

• Compound Name: sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium)
• PubChem CID: 167547452
• Molecular Formula: C80H86BBr2Cl4F7N7NaO15V6
• Molecular Weight: 2160.68 g/mol
• Exact Mass: 2155.99
• IUPAC Name: sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium)
• SMILES: CC1(C)C(=O)N(CCO)c2cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c21.CC1(C)C(=O)N(CCO)c2cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC1(C)C(=O)Nc2cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC1OB(c2ccn[nH]2)OC1(C)C.ClCCOC1CCCCO1.[2H]CF.[H-].[Na+].[V].[V].[V].[V].[V].[V]
• InChI: InChI=1S/C24H22ClF2N3O4.C21H19BrClF2NO4.C19H15BrClF2NO3.C8H13BN2O2.C7H13ClO2.CH3F.Na.6V.H/c1-23(2)21-17(18-7-8-28-29-18)12-15(13-19(21)30(9-10-31)22(23)33)20(32)11-14-3-5-16(6-4-14)34-24(25,26)27;1-20(2)18-15(22)10-13(11-16(18)26(7-8-27)19(20)29)17(28)9-12-3-5-14(6-4-12)30-21(23,24)25;1-18(2)16-13(20)8-11(9-14(16)24-17(18)26)15(25)7-10-3-5-12(6-4-10)27-19(21,22)23;1-6-8(2,3)13-9(12-6)7-4-5-10-11-7;8-4-6-10-7-3-1-2-5-9-7;1-2;;;;;;;;/h3-8,12-13,31H,9-11H2,1-2H3,(H,28,29);3-6,10-11,27H,7-9H2,1-2H3;3-6,8-9H,7H2,1-2H3,(H,24,26);4-6H,1-3H3,(H,10,11);7H,1-6H2;1H3;;;;;;;;/q;;;;;;+1;;;;;;;-1/i;;;;;1D
• InChIKey: UQJMQQXQFLESJC-GJHPBVLRSA-N
• XLogP: 13.99
• TPSA: 283.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 17
• Rotatable Bonds: 24
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2160.68
LogP ≤ 5	13.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium)?

The IUPAC name of sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium) (CID 167547452) is sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium).

What is the SMILES notation for sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium)?

The canonical SMILES for sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium) is CC1(C)C(=O)N(CCO)c2cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc(-c3ccn[nH]3)c21.CC1(C)C(=O)N(CCO)c2cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC1(C)C(=O)Nc2cc(C(=O)Cc3ccc(OC(F)(F)Cl)cc3)cc(Br)c21.CC1OB(c2ccn[nH]2)OC1(C)C.ClCCOC1CCCCO1.[2H]CF.[H-].[Na+].[V].[V].[V].[V].[V].[V].

What is the InChIKey of sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium)?

The InChIKey is UQJMQQXQFLESJC-GJHPBVLRSA-N. The full InChI is InChI=1S/C24H22ClF2N3O4.C21H19BrClF2NO4.C19H15BrClF2NO3.C8H13BN2O2.C7H13ClO2.CH3F.Na.6V.H/c1-23(2)21-17(18-7-8-28-29-18)12-15(13-19(21)30(9-10-31)22(23)33)20(32)11-14-3-5-16(6-4-14)34-24(25,26)27;1-20(2)18-15(22)10-13(11-16(18)26(7-8-27)19(20)29)17(28)9-12-3-5-14(6-4-12)30-21(23,24)25;1-18(2)16-13(20)8-11(9-14(16)24-17(18)26)15(25)7-10-3-5-12(6-4-10)27-19(21,22)23;1-6-8(2,3)13-9(12-6)7-4-5-10-11-7;8-4-6-10-7-3-1-2-5-9-7;1-2;;;;;;;;/h3-8,12-13,31H,9-11H2,1-2H3,(H,28,29);3-6,10-11,27H,7-9H2,1-2H3;3-6,8-9H,7H2,1-2H3,(H,24,26);4-6H,1-3H3,(H,10,11);7H,1-6H2;1H3;;;;;;;;/q;;;;;;+1;;;;;;;-1/i;;;;;1D;;;;;;;;.

What are the key properties of sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium)?

sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium) has a molecular weight of 2160.68 g/mol, XLogP of 13.99, 24 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-3,3-dimethyl-1H-indol-2-one;4-bromo-6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethylindol-2-one;6-[2-[4-[chloro(difluoro)methoxy]phenyl]acetyl]-1-(2-hydroxyethyl)-3,3-dimethyl-4-(1H-pyrazol-5-yl)indol-2-one;2-(2-chloroethoxy)oxane;deuterio(fluoro)methane;hydride;5-(4,4,5-trimethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole;hexakis(vanadium) is sourced from PubChem (CID 167547452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).