2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol

C130H128Br2Cl12F15N5O28S — CID 160585792

About 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol

2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol (PubChem CID 160585792) has the molecular formula C130H128Br2Cl12F15N5O28S and a molecular weight of 3110.74 g/mol. Its IUPAC name is 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol.

Molecular Properties

• Compound Name: 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol
• PubChem CID: 160585792
• Molecular Formula: C130H128Br2Cl12F15N5O28S
• Molecular Weight: 3110.74 g/mol
• Exact Mass: 3101.29
• IUPAC Name: 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol
• SMILES: CNCCO.CNCCOC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.COC(=O)[C@H](C)O.C[C@H](O)C(=O)N1CCCC1.C[C@H](OC(=O)C(Br)c1ccc(Cl)cc1)C(=O)N1CCCC1.C[C@H](OC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1)C(=O)N1CCCC1.O=C(Cl)C(Br)c1ccc(Cl)cc1.O=C(Cl)Cc1ccc(Cl)cc1.O=C(O)Cc1ccc(Cl)cc1.O=C(O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.O=C(O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.O=S(Cl)Cl.Oc1cccc(C(F)(F)F)c1
• InChI: InChI=1S/C22H21ClF3NO4.C18H17ClF3NO3.C15H17BrClNO3.2C15H10ClF3O3.C8H5BrCl2O.C8H6Cl2O.C8H7ClO2.C7H5F3O.C7H13NO2.C4H8O3.C3H9NO.Cl2OS/c1-14(20(28)27-11-2-3-12-27)30-21(29)19(15-7-9-17(23)10-8-15)31-18-6-4-5-16(13-18)22(24,25)26;1-23-9-10-25-17(24)16(12-5-7-14(19)8-6-12)26-15-4-2-3-13(11-15)18(20,21)22;1-10(14(19)18-8-2-3-9-18)21-15(20)13(16)11-4-6-12(17)7-5-11;2*16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19;9-7(8(11)12)5-1-3-6(10)4-2-5;2*9-7-3-1-6(2-4-7)5-8(10)11;8-7(9,10)5-2-1-3-6(11)4-5;1-6(9)7(10)8-4-2-3-5-8;1-3(5)4(6)7-2;1-4-2-3-5;1-4(2)3/h4-10,13-14,19H,2-3,11-12H2,1H3;2-8,11,16,23H,9-10H2,1H3;4-7,10,13H,2-3,8-9H2,1H3;2*1-8,13H,(H,20,21);1-4,7H;1-4H,5H2;1-4H,5H2,(H,10,11);1-4,11H;6,9H,2-5H2,1H3;3,5H,1-2H3;4-5H,2-3H2,1H3;/t14-,19+;16-;10-,13?;2*13-;;;;;6-;3-;;/m01011....00../s1
• InChIKey: RCJIELMUKMHMFP-VJKOIPFMSA-N
• XLogP: 32.07
• TPSA: 471.14 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 27
• Rotatable Bonds: 35
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3110.74
LogP ≤ 5	32.07
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol?

The IUPAC name of 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol (CID 160585792) is 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol.

What is the SMILES notation for 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol?

The canonical SMILES for 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol is CNCCO.CNCCOC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.COC(=O)[C@H](C)O.C[C@H](O)C(=O)N1CCCC1.C[C@H](OC(=O)C(Br)c1ccc(Cl)cc1)C(=O)N1CCCC1.C[C@H](OC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1)C(=O)N1CCCC1.O=C(Cl)C(Br)c1ccc(Cl)cc1.O=C(Cl)Cc1ccc(Cl)cc1.O=C(O)Cc1ccc(Cl)cc1.O=C(O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.O=C(O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1.O=S(Cl)Cl.Oc1cccc(C(F)(F)F)c1.

What is the InChIKey of 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol?

The InChIKey is RCJIELMUKMHMFP-VJKOIPFMSA-N. The full InChI is InChI=1S/C22H21ClF3NO4.C18H17ClF3NO3.C15H17BrClNO3.2C15H10ClF3O3.C8H5BrCl2O.C8H6Cl2O.C8H7ClO2.C7H5F3O.C7H13NO2.C4H8O3.C3H9NO.Cl2OS/c1-14(20(28)27-11-2-3-12-27)30-21(29)19(15-7-9-17(23)10-8-15)31-18-6-4-5-16(13-18)22(24,25)26;1-23-9-10-25-17(24)16(12-5-7-14(19)8-6-12)26-15-4-2-3-13(11-15)18(20,21)22;1-10(14(19)18-8-2-3-9-18)21-15(20)13(16)11-4-6-12(17)7-5-11;2*16-11-6-4-9(5-7-11)13(14(20)21)22-12-3-1-2-10(8-12)15(17,18)19;9-7(8(11)12)5-1-3-6(10)4-2-5;2*9-7-3-1-6(2-4-7)5-8(10)11;8-7(9,10)5-2-1-3-6(11)4-5;1-6(9)7(10)8-4-2-3-5-8;1-3(5)4(6)7-2;1-4-2-3-5;1-4(2)3/h4-10,13-14,19H,2-3,11-12H2,1H3;2-8,11,16,23H,9-10H2,1H3;4-7,10,13H,2-3,8-9H2,1H3;2*1-8,13H,(H,20,21);1-4,7H;1-4H,5H2;1-4H,5H2,(H,10,11);1-4,11H;6,9H,2-5H2,1H3;3,5H,1-2H3;4-5H,2-3H2,1H3;/t14-,19+;16-;10-,13?;2*13-;;;;;6-;3-;;/m01011....00../s1.

What are the key properties of 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol?

2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol has a molecular weight of 3110.74 g/mol, XLogP of 32.07, 35 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-bromo-2-(4-chlorophenyl)acetyl chloride;2-(4-chlorophenyl)acetic acid;2-(4-chlorophenyl)acetyl chloride;bis((2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetic acid);(2S)-2-hydroxy-1-pyrrolidin-1-ylpropan-1-one;2-(methylamino)ethanol;2-(methylamino)ethyl (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;methyl (2S)-2-hydroxypropanoate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-bromo-2-(4-chlorophenyl)acetate;[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] (2R)-2-(4-chlorophenyl)-2-[3-(trifluoromethyl)phenoxy]acetate;thionyl dichloride;3-(trifluoromethyl)phenol is sourced from PubChem (CID 160585792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).