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

C84H76F28IN7O18Si — CID 160755963

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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole
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(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.Fc1ccc(OC(F)(F)F)c2cc[nH]c12
InChIInChI=1S/C15H17F4NO3Si.2C14H13F4NO3.C12H11F4NO2.C10H8F4INO3.C10H9F4NO3.C9H5F4NO/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;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;2-5H,6-7H2,1H3;3-4H,2H2,1H3,(H,16,17);3-5H,2H2,1H3,(H,15,16);1-4,14H
InChIKeyRXKZEZVMAMRXCJ-UHFFFAOYSA-N
MW2158.50 g/mol
LogP25.30
Rot. Bonds24

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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole

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 (PubChem CID 160755963) has the molecular formula C84H76F28IN7O18Si and a molecular weight of 2158.50 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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole.

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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole
PubChem CID160755963
Molecular FormulaC84H76F28IN7O18Si
Molecular Weight2158.50 g/mol
Exact Mass2157.36
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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole
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(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.Fc1ccc(OC(F)(F)F)c2cc[nH]c12
InChIInChI=1S/C15H17F4NO3Si.2C14H13F4NO3.C12H11F4NO2.C10H8F4INO3.C10H9F4NO3.C9H5F4NO/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;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;2-5H,6-7H2,1H3;3-4H,2H2,1H3,(H,16,17);3-5H,2H2,1H3,(H,15,16);1-4,14H
InChIKeyRXKZEZVMAMRXCJ-UHFFFAOYSA-N
XLogP25.30
TPSA272.01 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds24
Heavy Atoms139
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002158.50
LogP ≤ 525.30
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

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'}

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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole with MolForge

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Related Compounds

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
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
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;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
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
benzyl N-[(2R)-1-(4-methoxy-1H-indol-3-yl)propan-2-yl]carbamate;tert-butyl 4-methoxy-3-[(E)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)prop-1-enyl]indole-1-carboxylate;bis(tert-butyl 4-methoxy-3-[(2S)-3-methoxy-3-oxo-2-(phenylmethoxycarbonylamino)propyl]indole-1-carboxylate)
CID 160096134
tert-butyl N-[(1R)-2-hydroxy-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-(1H-indol-6-yloxy)-1-phenylethyl]carbamate;tert-butyl N-[(1R)-2-[(2-oxo-1,3-dihydroindol-6-yl)oxy]-1-phenylethyl]carbamate;1H-indol-6-ol;6-[(2R)-4-oxo-4-[2-oxo-1-[(3,4,5-trifluorophenyl)methyl]-3-pyridinyl]-2-phenylbutoxy]-1,3-dihydroindol-2-one
CID 161382567

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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole?
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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole (CID 160755963) 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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole.
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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole?
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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole 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(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.Fc1ccc(OC(F)(F)F)c2cc[nH]c12.
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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole?
The InChIKey is RXKZEZVMAMRXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F4NO3Si.2C14H13F4NO3.C12H11F4NO2.C10H8F4INO3.C10H9F4NO3.C9H5F4NO/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;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;2-5H,6-7H2,1H3;3-4H,2H2,1H3,(H,16,17);3-5H,2H2,1H3,(H,15,16);1-4,14H.
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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole?
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 has a molecular weight of 2158.50 g/mol, XLogP of 25.30, 24 rotatable bonds, 4 hydrogen bond donors, and 21 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;bis(1-[7-fluoro-1-(2-methoxyethyl)-4-(trifluoromethoxy)indol-3-yl]ethanone);7-fluoro-4-(trifluoromethoxy)-1H-indole is sourced from PubChem (CID 160755963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).