1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine

C61H84F4IN5O4Si2 — CID 123310866

About 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine

1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine (PubChem CID 123310866) has the molecular formula C61H84F4IN5O4Si2 and a molecular weight of 1210.44 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine
• PubChem CID: 123310866
• Molecular Formula: C61H84F4IN5O4Si2
• Molecular Weight: 1210.44 g/mol
• Exact Mass: 1209.50
• IUPAC Name: 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine
• SMILES: CC(=O)c1ccc2[nH]ccc2c1F.CC(=O)c1ccc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1F.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(C(=O)O)ccc21.CN[C@H]1CCCC[C@@H]1NC.Fc1ccc(I)cc1
• InChI: InChI=1S/C19H28FNOSi.C18H26FNO2Si.C10H8FNO.C8H18N2.C6H4FI/c1-12(2)23(13(3)4,14(5)6)21-11-10-17-18(21)9-8-16(15(7)22)19(17)20;1-11(2)23(12(3)4,13(5)6)20-10-9-14-16(20)8-7-15(17(14)19)18(21)22;1-6(13)7-2-3-9-8(10(7)11)4-5-12-9;1-9-7-5-3-4-6-8(7)10-2;7-5-1-3-6(8)4-2-5/h8-14H,1-7H3;7-13H,1-6H3,(H,21,22);2-5,12H,1H3;7-10H,3-6H2,1-2H3;1-4H/t;;;7-,8-;/m...0./s1
• InChIKey: DCNYVZSJVMZVQP-HOIYXCQBSA-N
• XLogP: 17.19
• TPSA: 121.15 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1210.44
LogP ≤ 5	17.19
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The IUPAC name of 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine (CID 123310866) is 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine.

What is the SMILES notation for 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The canonical SMILES for 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine is CC(=O)c1ccc2[nH]ccc2c1F.CC(=O)c1ccc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1F.CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(F)c(C(=O)O)ccc21.CN[C@H]1CCCC[C@@H]1NC.Fc1ccc(I)cc1.

What is the InChIKey of 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

The InChIKey is DCNYVZSJVMZVQP-HOIYXCQBSA-N. The full InChI is InChI=1S/C19H28FNOSi.C18H26FNO2Si.C10H8FNO.C8H18N2.C6H4FI/c1-12(2)23(13(3)4,14(5)6)21-11-10-17-18(21)9-8-16(15(7)22)19(17)20;1-11(2)23(12(3)4,13(5)6)20-10-9-14-16(20)8-7-15(17(14)19)18(21)22;1-6(13)7-2-3-9-8(10(7)11)4-5-12-9;1-9-7-5-3-4-6-8(7)10-2;7-5-1-3-6(8)4-2-5/h8-14H,1-7H3;7-13H,1-6H3,(H,21,22);2-5,12H,1H3;7-10H,3-6H2,1-2H3;1-4H/t;;;7-,8-;/m...0./s1.

What are the key properties of 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine?

1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine has a molecular weight of 1210.44 g/mol, XLogP of 17.19, 13 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-fluoro-1H-indol-5-yl)ethanone;1-fluoro-4-iodobenzene;4-fluoro-1-tri(propan-2-yl)silylindole-5-carboxylic acid;1-[4-fluoro-1-tri(propan-2-yl)silylindol-5-yl]ethanone;trans-(1S,2S)-1-N,2-N-dimethylcyclohexane-1,2-diamine is sourced from PubChem (CID 123310866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).