ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone

C90H76F35IN8O20Si — CID 160659864

About ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone

ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone (PubChem CID 160659864) has the molecular formula C90H76F35IN8O20Si and a molecular weight of 2409.55 g/mol. Its IUPAC name is ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone.

Molecular Properties

• Compound Name: ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone
• PubChem CID: 160659864
• Molecular Formula: C90H76F35IN8O20Si
• Molecular Weight: 2409.55 g/mol
• Exact Mass: 2408.34
• IUPAC Name: ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone
• SMILES: CCOC(=O)Nc1c(F)ccc(OC(F)(F)F)c1C#C[Si](C)(C)C.CCOC(=O)Nc1c(F)ccc(OC(F)(F)F)c1I.CCOC(=O)Nc1cc(OC(F)(F)F)ccc1F.COCCn1cc(C(=O)C(F)(F)F)c2c(OC(F)(F)F)ccc(F)c21.COCCn1cc(C(=O)O)c2c(OC(F)(F)F)ccc(F)c21.COCCn1ccc2c(OC(F)(F)F)ccc(F)c21.Fc1ccc(OC(F)(F)F)c2cc[nH]c12.Nc1cc(OC(F)(F)F)ccc1F
• InChI: InChI=1S/C15H17F4NO3Si.C14H10F7NO3.C13H11F4NO4.C12H11F4NO2.C10H8F4INO3.C10H9F4NO3.C9H5F4NO.C7H5F4NO/c1-5-22-14(21)20-13-10(8-9-24(2,3)4)12(7-6-11(13)16)23-15(17,18)19;1-24-5-4-22-6-7(12(23)13(16,17)18)10-9(25-14(19,20)21)3-2-8(15)11(10)22;1-21-5-4-18-6-7(12(19)20)10-9(22-13(15,16)17)3-2-8(14)11(10)18;1-18-7-6-17-5-4-8-10(19-12(14,15)16)3-2-9(13)11(8)17;1-2-18-9(17)16-8-5(11)3-4-6(7(8)15)19-10(12,13)14;1-2-17-9(16)15-8-5-6(3-4-7(8)11)18-10(12,13)14;10-6-1-2-7(15-9(11,12)13)5-3-4-14-8(5)6;8-5-2-1-4(3-6(5)12)13-7(9,10)11/h6-7H,5H2,1-4H3,(H,20,21);2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3,(H,19,20);2-5H,6-7H2,1H3;3-4H,2H2,1H3,(H,16,17);3-5H,2H2,1H3,(H,15,16);1-4,14H;1-3H,12H2
• InChIKey: RLNMGDXQTDSDFB-UHFFFAOYSA-N
• XLogP: 27.64
• TPSA: 327.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 25
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2409.55
LogP ≤ 5	27.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone?

The IUPAC name of ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone (CID 160659864) is ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone.

What is the SMILES notation for ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone?

The canonical SMILES for ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone is CCOC(=O)Nc1c(F)ccc(OC(F)(F)F)c1C#C[Si](C)(C)C.CCOC(=O)Nc1c(F)ccc(OC(F)(F)F)c1I.CCOC(=O)Nc1cc(OC(F)(F)F)ccc1F.COCCn1cc(C(=O)C(F)(F)F)c2c(OC(F)(F)F)ccc(F)c21.COCCn1cc(C(=O)O)c2c(OC(F)(F)F)ccc(F)c21.COCCn1ccc2c(OC(F)(F)F)ccc(F)c21.Fc1ccc(OC(F)(F)F)c2cc[nH]c12.Nc1cc(OC(F)(F)F)ccc1F.

What is the InChIKey of ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone?

The InChIKey is RLNMGDXQTDSDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO3Si.C14H10F7NO3.C13H11F4NO4.C12H11F4NO2.C10H8F4INO3.C10H9F4NO3.C9H5F4NO.C7H5F4NO/c1-5-22-14(21)20-13-10(8-9-24(2,3)4)12(7-6-11(13)16)23-15(17,18)19;1-24-5-4-22-6-7(12(23)13(16,17)18)10-9(25-14(19,20)21)3-2-8(15)11(10)22;1-21-5-4-18-6-7(12(19)20)10-9(22-13(15,16)17)3-2-8(14)11(10)18;1-18-7-6-17-5-4-8-10(19-12(14,15)16)3-2-9(13)11(8)17;1-2-18-9(17)16-8-5(11)3-4-6(7(8)15)19-10(12,13)14;1-2-17-9(16)15-8-5-6(3-4-7(8)11)18-10(12,13)14;10-6-1-2-7(15-9(11,12)13)5-3-4-14-8(5)6;8-5-2-1-4(3-6(5)12)13-7(9,10)11/h6-7H,5H2,1-4H3,(H,20,21);2-3,6H,4-5H2,1H3;2-3,6H,4-5H2,1H3,(H,19,20);2-5H,6-7H2,1H3;3-4H,2H2,1H3,(H,16,17);3-5H,2H2,1H3,(H,15,16);1-4,14H;1-3H,12H2.

What are the key properties of ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone?

ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone has a molecular weight of 2409.55 g/mol, XLogP of 27.64, 25 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;ethyl N-[2-fluoro-5-(trifluoromethoxy)phenyl]carbamate;ethyl N-[6-fluoro-3-(trifluoromethoxy)-2-(2-trimethylsilylethynyl)phenyl]carbamate;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2-fluoro-5-(trifluoromethoxy)aniline;7-fluoro-4-(trifluoromethoxy)-1H-indole;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone is sourced from PubChem (CID 160659864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).