2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium

C112H113Br6Cl2F10N6O21P2+ — CID 158635709

About 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium

2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium (PubChem CID 158635709) has the molecular formula C112H113Br6Cl2F10N6O21P2+ and a molecular weight of 2681.41 g/mol. Its IUPAC name is 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium.

Molecular Properties

• Compound Name: 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium
• PubChem CID: 158635709
• Molecular Formula: C112H113Br6Cl2F10N6O21P2+
• Molecular Weight: 2681.41 g/mol
• Exact Mass: 2673.17
• IUPAC Name: 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium
• SMILES: CC(=O)C1=CCc2cc(Br)c(F)cc21.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)CCc2cccc(Cl)c2F)c2cc(Br)c(F)cc12.CC(=O)c1cn(CC(=O)O)c2cc(Br)c(F)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2cc(Br)c(F)cc12.CC(C)(C)OC(=O)CBr.CCOP(=O)(OCC)c1cc2c(cc1F)c(C(C)=O)cn2CC(=O)N1C[C@H](F)C[C@H]1C(=O)CCc1cccc(Cl)c1F.CCO[P+](=O)OCC.Fc1cc2c(cc1Br)CC=C2
• InChI: InChI=1S/C29H31ClF3N2O6P.C25H21BrClF3N2O3.C16H17BrFNO3.C12H9BrFNO3.C11H8BrFO.C9H6BrF.C6H11BrO2.C4H10O3P/c1-4-40-42(39,41-5-2)27-13-24-20(12-23(27)32)21(17(3)36)15-34(24)16-28(38)35-14-19(31)11-25(35)26(37)10-9-18-7-6-8-22(30)29(18)33;1-13(33)17-11-31(21-9-18(26)20(29)8-16(17)21)12-24(35)32-10-15(28)7-22(32)23(34)6-5-14-3-2-4-19(27)25(14)30;1-9(20)11-7-19(8-15(21)22-16(2,3)4)14-6-12(17)13(18)5-10(11)14;1-6(16)8-4-15(5-12(17)18)11-3-9(13)10(14)2-7(8)11;1-6(14)8-3-2-7-4-10(12)11(13)5-9(7)8;10-8-4-6-2-1-3-7(6)5-9(8)11;1-6(2,3)9-5(8)4-7;1-3-6-8(5)7-4-2/h6-8,12-13,15,19,25H,4-5,9-11,14,16H2,1-3H3;2-4,8-9,11,15,22H,5-7,10,12H2,1H3;5-7H,8H2,1-4H3;2-4H,5H2,1H3,(H,17,18);3-5H,2H2,1H3;1,3-5H,2H2;4H2,1-3H3;3-4H2,1-2H3/q;;;;;;;+1/t19-,25+;15-,22+;;;;;;/m11....../s1
• InChIKey: QKQVHTOLPDVINK-CXZJOFTMSA-N
• XLogP: 28.12
• TPSA: 340.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 24
• Rotatable Bonds: 31
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2681.41
LogP ≤ 5	28.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium?

The IUPAC name of 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium (CID 158635709) is 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium.

What is the SMILES notation for 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium?

The canonical SMILES for 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium is CC(=O)C1=CCc2cc(Br)c(F)cc21.CC(=O)c1cn(CC(=O)N2C[C@H](F)C[C@H]2C(=O)CCc2cccc(Cl)c2F)c2cc(Br)c(F)cc12.CC(=O)c1cn(CC(=O)O)c2cc(Br)c(F)cc12.CC(=O)c1cn(CC(=O)OC(C)(C)C)c2cc(Br)c(F)cc12.CC(C)(C)OC(=O)CBr.CCOP(=O)(OCC)c1cc2c(cc1F)c(C(C)=O)cn2CC(=O)N1C[C@H](F)C[C@H]1C(=O)CCc1cccc(Cl)c1F.CCO[P+](=O)OCC.Fc1cc2c(cc1Br)CC=C2.

What is the InChIKey of 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium?

The InChIKey is QKQVHTOLPDVINK-CXZJOFTMSA-N. The full InChI is InChI=1S/C29H31ClF3N2O6P.C25H21BrClF3N2O3.C16H17BrFNO3.C12H9BrFNO3.C11H8BrFO.C9H6BrF.C6H11BrO2.C4H10O3P/c1-4-40-42(39,41-5-2)27-13-24-20(12-23(27)32)21(17(3)36)15-34(24)16-28(38)35-14-19(31)11-25(35)26(37)10-9-18-7-6-8-22(30)29(18)33;1-13(33)17-11-31(21-9-18(26)20(29)8-16(17)21)12-24(35)32-10-15(28)7-22(32)23(34)6-5-14-3-2-4-19(27)25(14)30;1-9(20)11-7-19(8-15(21)22-16(2,3)4)14-6-12(17)13(18)5-10(11)14;1-6(16)8-4-15(5-12(17)18)11-3-9(13)10(14)2-7(8)11;1-6(14)8-3-2-7-4-10(12)11(13)5-9(7)8;10-8-4-6-2-1-3-7(6)5-9(8)11;1-6(2,3)9-5(8)4-7;1-3-6-8(5)7-4-2/h6-8,12-13,15,19,25H,4-5,9-11,14,16H2,1-3H3;2-4,8-9,11,15,22H,5-7,10,12H2,1H3;5-7H,8H2,1-4H3;2-4H,5H2,1H3,(H,17,18);3-5H,2H2,1H3;1,3-5H,2H2;4H2,1-3H3;3-4H2,1-2H3/q;;;;;;;+1/t19-,25+;15-,22+;;;;;;/m11....../s1.

What are the key properties of 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium?

2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium has a molecular weight of 2681.41 g/mol, XLogP of 28.12, 31 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetic acid;1-[(2S,4R)-1-[2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;1-[(2S,4R)-1-[2-(3-acetyl-6-diethoxyphosphoryl-5-fluoroindol-1-yl)acetyl]-4-fluoropyrrolidin-2-yl]-3-(3-chloro-2-fluorophenyl)propan-1-one;6-bromo-5-fluoro-1H-indene;1-(5-bromo-6-fluoro-3H-inden-1-yl)ethanone;tert-butyl 2-(3-acetyl-6-bromo-5-fluoroindol-1-yl)acetate;tert-butyl 2-bromoacetate;diethoxy(oxo)phosphanium is sourced from PubChem (CID 158635709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).