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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone

C117H101F43IN11O24Si — CID 160932232

IUPACethyl 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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone
SMILESCCOC(=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)N2CCC(c3cc(CNC(=O)C(F)(F)F)ccc3F)CC2)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
InChIInChI=1S/C27H25F8N3O4.C15H17F4NO3Si.C14H10F7NO3.C13H11F4NO4.C12H11F4NO2.C10H8F4INO3.C10H9F4NO3.C9H5F4NO.C7H5F4NO/c1-41-11-10-38-14-18(22-21(42-27(33,34)35)5-4-20(29)23(22)38)24(39)37-8-6-16(7-9-37)17-12-15(2-3-19(17)28)13-36-25(40)26(30,31)32;1-5-22-14(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/h2-5,12,14,16H,6-11,13H2,1H3,(H,36,40);6-7H,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
InChIKeySTKKUNOTOWCEJL-UHFFFAOYSA-N
MW3017.05 g/mol
LogP33.31
Rot. Bonds33

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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone (PubChem CID 160932232) has the molecular formula C117H101F43IN11O24Si and a molecular weight of 3017.05 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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone.

Molecular Properties

Compound Nameethyl 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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone
PubChem CID160932232
Molecular FormulaC117H101F43IN11O24Si
Molecular Weight3017.05 g/mol
Exact Mass3015.51
IUPAC Nameethyl 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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone
SMILESCCOC(=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)N2CCC(c3cc(CNC(=O)C(F)(F)F)ccc3F)CC2)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
InChIInChI=1S/C27H25F8N3O4.C15H17F4NO3Si.C14H10F7NO3.C13H11F4NO4.C12H11F4NO2.C10H8F4INO3.C10H9F4NO3.C9H5F4NO.C7H5F4NO/c1-41-11-10-38-14-18(22-21(42-27(33,34)35)5-4-20(29)23(22)38)24(39)37-8-6-16(7-9-37)17-12-15(2-3-19(17)28)13-36-25(40)26(30,31)32;1-5-22-14(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/h2-5,12,14,16H,6-11,13H2,1H3,(H,36,40);6-7H,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
InChIKeySTKKUNOTOWCEJL-UHFFFAOYSA-N
XLogP33.31
TPSA400.29 Ų
H-Bond Donors7
H-Bond Acceptors28
Rotatable Bonds33
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003017.05
LogP ≤ 533.31
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1028

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'}

Analyze 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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone with MolForge

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Related Compounds

[4-(5-Aminomethyl-2-fluorophenyl)piperidine-1-yl][7-fluoro-1-(2-methoxyethyl)-4-trifluoromethoxy-1H-indol-3-yl]methanone Sesquifumarate Monohydrate
CID 131729815
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;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 157719188
7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide
CID 158730394
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;1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone;7-fluoro-4-(trifluoromethoxy)-1H-indole
CID 159773007
[4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]methanone;7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carboxylic acid;2,2,2-trifluoro-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;hydrochloride
CID 160645278
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
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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole
CID 160755963
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
Bis([4-[5-(aminomethyl)-2-fluorophenyl]piperidin-1-yl]-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]methanone);tris(but-2-enedioic acid);hydrate
CID 173065247
tert-butyl 5-fluoro-3-(4-hydroxybutyl)indole-1-carboxylate;tert-butyl 5-fluoro-3-(4-iodobutyl)indole-1-carboxylate;tert-butyl 5-fluoro-3-[4-[4-(3-methyl-2-oxo-1,3-benzoxazol-7-yl)piperazin-1-yl]butyl]indole-1-carboxylate;tert-butyl 5-fluoro-3-(4-triethylsilyloxybutyl)indole-1-carboxylate;5-fluoro-1H-indole;4-(5-fluoro-1H-indol-3-yl)butan-1-ol;7-[4-[4-(5-fluoro-1H-indol-3-yl)butyl]piperazin-1-yl]-3-methyl-1,3-benzoxazol-2-one;4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoic acid;methanamine;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane
CID 157064419
4-(2,4-difluorophenyl)-2-(1-ethylindol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-[5-(hydroxymethyl)-1H-indol-3-yl]-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(4-methoxy-1H-indol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-2-(1-methylindol-3-yl)-4-oxobutanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(1-propan-2-ylindol-3-yl)butanoic acid;4-(2,4-difluorophenyl)-4-oxo-2-(1-propylindol-3-yl)butanoic acid
CID 157158143
5-fluoro-6-phenylmethoxy-1H-indole;5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylic acid;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethylethanamine;2-(5-fluoro-6-phenylmethoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide;methyl 5-fluoro-6-phenylmethoxy-1H-indole-2-carboxylate
CID 159158854

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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone (CID 160932232) 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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;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)N2CCC(c3cc(CNC(=O)C(F)(F)F)ccc3F)CC2)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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone?
The InChIKey is STKKUNOTOWCEJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F8N3O4.C15H17F4NO3Si.C14H10F7NO3.C13H11F4NO4.C12H11F4NO2.C10H8F4INO3.C10H9F4NO3.C9H5F4NO.C7H5F4NO/c1-41-11-10-38-14-18(22-21(42-27(33,34)35)5-4-20(29)23(22)38)24(39)37-8-6-16(7-9-37)17-12-15(2-3-19(17)28)13-36-25(40)26(30,31)32;1-5-22-14(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/h2-5,12,14,16H,6-11,13H2,1H3,(H,36,40);6-7H,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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone has a molecular weight of 3017.05 g/mol, XLogP of 33.31, 33 rotatable bonds, 7 hydrogen bond donors, and 28 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-N-[[4-fluoro-3-[1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indole-3-carbonyl]piperidin-4-yl]phenyl]methyl]acetamide;2,2,2-trifluoro-1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone is sourced from PubChem (CID 160932232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).