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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane

C173H211F10IN16O22Si2 — CID 159275852

IUPACtert-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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane
SMILESCC(C)(C)OC(=O)n1cc(CCCCI)c2cc(F)ccc21.CC(C)(C)OC(=O)n1cc(CCCCO)c2cc(F)ccc21.CC[Si](CC)(CC)OCCCCc1c[nH]c2ccc(F)cc12.CC[Si](CC)(CC)OCCCCc1cn(C(=O)OC(C)(C)C)c2ccc(F)cc12.COC(=O)CCC(=O)c1c[nH]c2ccc(F)cc12.Cn1c(=O)oc2c(N3CCN(CCCCc4c[nH]c5ccc(F)cc45)CC3)cccc21.Cn1c(=O)oc2c(N3CCN(CCCCc4cn(C(=O)OC(C)(C)C)c5ccc(F)cc45)CC3)cccc21.Fc1ccc2[nH]ccc2c1.O=C(O)CCC(=O)c1c[nH]c2ccc(F)cc12.OCCCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C29H35FN4O4.C24H27FN4O2.C23H36FNO3Si.C18H28FNOSi.C17H21FINO2.C17H22FNO3.C13H12FNO3.C12H10FNO3.C12H14FNO.C8H6FN/c1-29(2,3)38-28(36)34-19-20(22-18-21(30)11-12-23(22)34)8-5-6-13-32-14-16-33(17-15-32)25-10-7-9-24-26(25)37-27(35)31(24)4;1-27-21-6-4-7-22(23(21)31-24(27)30)29-13-11-28(12-14-29)10-3-2-5-17-16-26-20-9-8-18(25)15-19(17)20;1-7-29(8-2,9-3)27-15-11-10-12-18-17-25(22(26)28-23(4,5)6)21-14-13-19(24)16-20(18)21;1-4-22(5-2,6-3)21-12-8-7-9-15-14-20-18-11-10-16(19)13-17(15)18;1-17(2,3)22-16(21)20-11-12(6-4-5-9-19)14-10-13(18)7-8-15(14)20;1-17(2,3)22-16(21)19-11-12(6-4-5-9-20)14-10-13(18)7-8-15(14)19;1-18-13(17)5-4-12(16)10-7-15-11-3-2-8(14)6-9(10)11;13-7-1-2-10-8(5-7)9(6-14-10)11(15)3-4-12(16)17;13-10-4-5-12-11(7-10)9(8-14-12)3-1-2-6-15;9-7-1-2-8-6(5-7)3-4-10-8/h7,9-12,18-19H,5-6,8,13-17H2,1-4H3;4,6-9,15-16,26H,2-3,5,10-14H2,1H3;13-14,16-17H,7-12,15H2,1-6H3;10-11,13-14,20H,4-9,12H2,1-3H3;7-8,10-11H,4-6,9H2,1-3H3;7-8,10-11,20H,4-6,9H2,1-3H3;2-3,6-7,15H,4-5H2,1H3;1-2,5-6,14H,3-4H2,(H,16,17);4-5,7-8,14-15H,1-3,6H2;1-5,10H
InChIKeyKYHLAYKUOFKYMT-UHFFFAOYSA-N
MW3239.74 g/mol
LogP40.54
Rot. Bonds50

About 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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane

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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane (PubChem CID 159275852) has the molecular formula C173H211F10IN16O22Si2 and a molecular weight of 3239.74 g/mol. Its IUPAC name is 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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane.

Molecular Properties

Compound Nametert-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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane
PubChem CID159275852
Molecular FormulaC173H211F10IN16O22Si2
Molecular Weight3239.74 g/mol
Exact Mass3237.43
IUPAC Nametert-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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane
SMILESCC(C)(C)OC(=O)n1cc(CCCCI)c2cc(F)ccc21.CC(C)(C)OC(=O)n1cc(CCCCO)c2cc(F)ccc21.CC[Si](CC)(CC)OCCCCc1c[nH]c2ccc(F)cc12.CC[Si](CC)(CC)OCCCCc1cn(C(=O)OC(C)(C)C)c2ccc(F)cc12.COC(=O)CCC(=O)c1c[nH]c2ccc(F)cc12.Cn1c(=O)oc2c(N3CCN(CCCCc4c[nH]c5ccc(F)cc45)CC3)cccc21.Cn1c(=O)oc2c(N3CCN(CCCCc4cn(C(=O)OC(C)(C)C)c5ccc(F)cc45)CC3)cccc21.Fc1ccc2[nH]ccc2c1.O=C(O)CCC(=O)c1c[nH]c2ccc(F)cc12.OCCCCc1c[nH]c2ccc(F)cc12
InChIInChI=1S/C29H35FN4O4.C24H27FN4O2.C23H36FNO3Si.C18H28FNOSi.C17H21FINO2.C17H22FNO3.C13H12FNO3.C12H10FNO3.C12H14FNO.C8H6FN/c1-29(2,3)38-28(36)34-19-20(22-18-21(30)11-12-23(22)34)8-5-6-13-32-14-16-33(17-15-32)25-10-7-9-24-26(25)37-27(35)31(24)4;1-27-21-6-4-7-22(23(21)31-24(27)30)29-13-11-28(12-14-29)10-3-2-5-17-16-26-20-9-8-18(25)15-19(17)20;1-7-29(8-2,9-3)27-15-11-10-12-18-17-25(22(26)28-23(4,5)6)21-14-13-19(24)16-20(18)21;1-4-22(5-2,6-3)21-12-8-7-9-15-14-20-18-11-10-16(19)13-17(15)18;1-17(2,3)22-16(21)20-11-12(6-4-5-9-19)14-10-13(18)7-8-15(14)20;1-17(2,3)22-16(21)19-11-12(6-4-5-9-20)14-10-13(18)7-8-15(14)19;1-18-13(17)5-4-12(16)10-7-15-11-3-2-8(14)6-9(10)11;13-7-1-2-10-8(5-7)9(6-14-10)11(15)3-4-12(16)17;13-10-4-5-12-11(7-10)9(8-14-12)3-1-2-6-15;9-7-1-2-8-6(5-7)3-4-10-8/h7,9-12,18-19H,5-6,8,13-17H2,1-4H3;4,6-9,15-16,26H,2-3,5,10-14H2,1H3;13-14,16-17H,7-12,15H2,1-6H3;10-11,13-14,20H,4-9,12H2,1-3H3;7-8,10-11H,4-6,9H2,1-3H3;7-8,10-11,20H,4-6,9H2,1-3H3;2-3,6-7,15H,4-5H2,1H3;1-2,5-6,14H,3-4H2,(H,16,17);4-5,7-8,14-15H,1-3,6H2;1-5,10H
InChIKeyKYHLAYKUOFKYMT-UHFFFAOYSA-N
XLogP40.54
TPSA459.56 Ų
H-Bond Donors9
H-Bond Acceptors31
Rotatable Bonds50
Heavy Atoms224
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003239.74
LogP ≤ 540.54
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

Analyze 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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane 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;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
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
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-triethylsilyloxybutyl)indole-1-carboxylate;5-fluoro-1H-indole;4-(5-fluoro-1H-indol-3-yl)butan-1-ol;4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoic acid;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane
CID 157658595
(2S)-1-[(2S,4S)-2-[(3-acetyl-5-fluoroindol-1-yl)methyl]-4-phenoxypyrrolidin-1-yl]-2-amino-2-cyclohexylethanone;(2S,5S)-1-[(2S,4S)-2-[(3-acetyl-5-fluoroindol-1-yl)methyl]-4-phenoxypyrrolidin-1-yl]-2-cyclohexyl-5-(methylamino)hexane-1,4-dione;tert-butyl N-[(2S,5S)-6-[(2S,4S)-2-[(3-acetyl-5-fluoroindol-1-yl)methyl]-4-phenoxypyrrolidin-1-yl]-5-cyclohexyl-3,6-dioxohexan-2-yl]-N-methylcarbamate;tert-butyl (3S)-4-[(2S,4S)-2-[(3-acetyl-5-fluoroindol-1-yl)methyl]-4-phenoxypyrrolidin-1-yl]-3-cyclohexyl-4-oxobutanoate;methane;(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
CID 163977628

Frequently Asked Questions

What is the IUPAC name of 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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane?
The IUPAC name of 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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane (CID 159275852) is 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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane.
What is the SMILES notation for 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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane?
The canonical SMILES for 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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane is CC(C)(C)OC(=O)n1cc(CCCCI)c2cc(F)ccc21.CC(C)(C)OC(=O)n1cc(CCCCO)c2cc(F)ccc21.CC[Si](CC)(CC)OCCCCc1c[nH]c2ccc(F)cc12.CC[Si](CC)(CC)OCCCCc1cn(C(=O)OC(C)(C)C)c2ccc(F)cc12.COC(=O)CCC(=O)c1c[nH]c2ccc(F)cc12.Cn1c(=O)oc2c(N3CCN(CCCCc4c[nH]c5ccc(F)cc45)CC3)cccc21.Cn1c(=O)oc2c(N3CCN(CCCCc4cn(C(=O)OC(C)(C)C)c5ccc(F)cc45)CC3)cccc21.Fc1ccc2[nH]ccc2c1.O=C(O)CCC(=O)c1c[nH]c2ccc(F)cc12.OCCCCc1c[nH]c2ccc(F)cc12.
What is the InChIKey of 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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane?
The InChIKey is KYHLAYKUOFKYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35FN4O4.C24H27FN4O2.C23H36FNO3Si.C18H28FNOSi.C17H21FINO2.C17H22FNO3.C13H12FNO3.C12H10FNO3.C12H14FNO.C8H6FN/c1-29(2,3)38-28(36)34-19-20(22-18-21(30)11-12-23(22)34)8-5-6-13-32-14-16-33(17-15-32)25-10-7-9-24-26(25)37-27(35)31(24)4;1-27-21-6-4-7-22(23(21)31-24(27)30)29-13-11-28(12-14-29)10-3-2-5-17-16-26-20-9-8-18(25)15-19(17)20;1-7-29(8-2,9-3)27-15-11-10-12-18-17-25(22(26)28-23(4,5)6)21-14-13-19(24)16-20(18)21;1-4-22(5-2,6-3)21-12-8-7-9-15-14-20-18-11-10-16(19)13-17(15)18;1-17(2,3)22-16(21)20-11-12(6-4-5-9-19)14-10-13(18)7-8-15(14)20;1-17(2,3)22-16(21)19-11-12(6-4-5-9-20)14-10-13(18)7-8-15(14)19;1-18-13(17)5-4-12(16)10-7-15-11-3-2-8(14)6-9(10)11;13-7-1-2-10-8(5-7)9(6-14-10)11(15)3-4-12(16)17;13-10-4-5-12-11(7-10)9(8-14-12)3-1-2-6-15;9-7-1-2-8-6(5-7)3-4-10-8/h7,9-12,18-19H,5-6,8,13-17H2,1-4H3;4,6-9,15-16,26H,2-3,5,10-14H2,1H3;13-14,16-17H,7-12,15H2,1-6H3;10-11,13-14,20H,4-9,12H2,1-3H3;7-8,10-11H,4-6,9H2,1-3H3;7-8,10-11,20H,4-6,9H2,1-3H3;2-3,6-7,15H,4-5H2,1H3;1-2,5-6,14H,3-4H2,(H,16,17);4-5,7-8,14-15H,1-3,6H2;1-5,10H.
What are the key properties of 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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane?
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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane has a molecular weight of 3239.74 g/mol, XLogP of 40.54, 50 rotatable bonds, 9 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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;methyl 4-(5-fluoro-1H-indol-3-yl)-4-oxobutanoate;triethyl-[4-(5-fluoro-1H-indol-3-yl)butoxy]silane is sourced from PubChem (CID 159275852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).