ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride

C125H122Cl2F31IN12O20Si — CID 161248395

About ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride

ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride (PubChem CID 161248395) has the molecular formula C125H122Cl2F31IN12O20Si and a molecular weight of 2927.25 g/mol. Its IUPAC name is ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride.

Molecular Properties

• Compound Name: ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride
• PubChem CID: 161248395
• Molecular Formula: C125H122Cl2F31IN12O20Si
• Molecular Weight: 2927.25 g/mol
• Exact Mass: 2924.66
• IUPAC Name: ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride
• SMILES: CC(=O)NCc1ccc(F)c(-c2ccncc2)c1.CC(=O)NCc1ccc(F)c(C2CCNCC2)c1.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.CCc1ccc(F)c(-c2ccncc2)c1.COCCn1cc(C(C)=O)c2c(OC(F)(F)F)ccc(F)c21.COCCn1cc(C(C)=O)c2c(OC(F)(F)F)ccc(F)c21.COCCn1ccc2c(OC(F)(F)F)ccc(F)c21.Cl.Cl.Fc1ccc(OC(F)(F)F)c2cc[nH]c12
• InChI: InChI=1S/C15H17F4NO3Si.2C14H13F4NO3.C14H19FN2O.C14H13FN2O.C13H12FN.C12H11F4NO2.C10H8F4INO3.C10H9F4NO3.C9H5F4NO.2ClH/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;2*1-8(20)9-7-19(5-6-21-2)13-10(15)3-4-11(12(9)13)22-14(16,17)18;2*1-10(18)17-9-11-2-3-14(15)13(8-11)12-4-6-16-7-5-12;1-2-10-3-4-13(14)12(9-10)11-5-7-15-8-6-11;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;;/h6-7H,5H2,1-4H3,(H,20,21);2*3-4,7H,5-6H2,1-2H3;2-3,8,12,16H,4-7,9H2,1H3,(H,17,18);2-8H,9H2,1H3,(H,17,18);3-9H,2H2,1H3;2-5H,6-7H2,1H3;3-4H,2H2,1H3,(H,16,17);3-5H,2H2,1H3,(H,15,16);1-4,14H;2*1H
• InChIKey: YKMUCJABJLDQFK-UHFFFAOYSA-N
• XLogP: 34.04
• TPSA: 368.02 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 32
• Heavy Atoms: 192
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2927.25
LogP ≤ 5	34.04
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride?

The IUPAC name of ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride (CID 161248395) is ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride.

What is the SMILES notation for ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride?

The canonical SMILES for ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride is CC(=O)NCc1ccc(F)c(-c2ccncc2)c1.CC(=O)NCc1ccc(F)c(C2CCNCC2)c1.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.CCc1ccc(F)c(-c2ccncc2)c1.COCCn1cc(C(C)=O)c2c(OC(F)(F)F)ccc(F)c21.COCCn1cc(C(C)=O)c2c(OC(F)(F)F)ccc(F)c21.COCCn1ccc2c(OC(F)(F)F)ccc(F)c21.Cl.Cl.Fc1ccc(OC(F)(F)F)c2cc[nH]c12.

What is the InChIKey of ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride?

The InChIKey is YKMUCJABJLDQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO3Si.2C14H13F4NO3.C14H19FN2O.C14H13FN2O.C13H12FN.C12H11F4NO2.C10H8F4INO3.C10H9F4NO3.C9H5F4NO.2ClH/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;2*1-8(20)9-7-19(5-6-21-2)13-10(15)3-4-11(12(9)13)22-14(16,17)18;2*1-10(18)17-9-11-2-3-14(15)13(8-11)12-4-6-16-7-5-12;1-2-10-3-4-13(14)12(9-10)11-5-7-15-8-6-11;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;;/h6-7H,5H2,1-4H3,(H,20,21);2*3-4,7H,5-6H2,1-2H3;2-3,8,12,16H,4-7,9H2,1H3,(H,17,18);2-8H,9H2,1H3,(H,17,18);3-9H,2H2,1H3;2-5H,6-7H2,1H3;3-4H,2H2,1H3,(H,16,17);3-5H,2H2,1H3,(H,15,16);1-4,14H;2*1H.

What are the key properties of ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride?

ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride has a molecular weight of 2927.25 g/mol, XLogP of 34.04, 32 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-[6-fluoro-2-iodo-3-(trifluoromethoxy)phenyl]carbamate;4-(5-ethyl-2-fluorophenyl)pyridine;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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);N-[(4-fluoro-3-piperidin-4-ylphenyl)methyl]acetamide;N-[(4-fluoro-3-pyridin-4-ylphenyl)methyl]acetamide;7-fluoro-4-(trifluoromethoxy)-1H-indole;dihydrochloride is sourced from PubChem (CID 161248395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).