5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane

C87H123F11N8O5Si4 — CID 163855612

IUPAC5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane
SMILESC=C1OCC(F)(F)CN1[C@H](C)Cc1c([Si](CC)(CC)CC)[nH]c2ccc(F)cc12.C=C1OCC(F)(F)CN1[C@H](C)Cc1c([Si](CC)(CC)CC)[nH]c2cccc(F)c12.C=C1OCC(F)(F)CN1[C@H](C)Cc1c([Si](CC)(CC)CC)[nH]c2ccccc12.CC[Si](CC)(CC)c1[nH]c2cc(F)ccc2c1C[C@@H](C)N1CC(F)(F)COC1=O
InChIInChI=1S/2C22H31F3N2OSi.C22H32F2N2OSi.C21H29F3N2O2Si/c1-6-29(7-2,8-3)21-19(18-12-17(23)9-10-20(18)26-21)11-15(4)27-13-22(24,25)14-28-16(27)5;1-6-29(7-2,8-3)21-17(20-18(23)10-9-11-19(20)26-21)12-15(4)27-13-22(24,25)14-28-16(27)5;1-6-28(7-2,8-3)21-19(18-11-9-10-12-20(18)25-21)13-16(4)26-14-22(23,24)15-27-17(26)5;1-5-29(6-2,7-3)19-17(16-9-8-15(22)11-18(16)25-19)10-14(4)26-12-21(23,24)13-28-20(26)27/h9-10,12,15,26H,5-8,11,13-14H2,1-4H3;9-11,15,26H,5-8,12-14H2,1-4H3;9-12,16,25H,5-8,13-15H2,1-4H3;8-9,11,14,25H,5-7,10,12-13H2,1-4H3/t2*15-;16-;14-/m1111/s1
InChIKeyOYABTFPTZDPWCO-NYZDKRBYSA-N
MW1682.31 g/mol
LogP21.08
Rot. Bonds28

About 5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane

5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane (PubChem CID 163855612) has the molecular formula C87H123F11N8O5Si4 and a molecular weight of 1682.31 g/mol. Its IUPAC name is 5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane.

Molecular Properties

Compound Name5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane
PubChem CID163855612
Molecular FormulaC87H123F11N8O5Si4
Molecular Weight1682.31 g/mol
Exact Mass1680.85
IUPAC Name5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane
SMILESC=C1OCC(F)(F)CN1[C@H](C)Cc1c([Si](CC)(CC)CC)[nH]c2ccc(F)cc12.C=C1OCC(F)(F)CN1[C@H](C)Cc1c([Si](CC)(CC)CC)[nH]c2cccc(F)c12.C=C1OCC(F)(F)CN1[C@H](C)Cc1c([Si](CC)(CC)CC)[nH]c2ccccc12.CC[Si](CC)(CC)c1[nH]c2cc(F)ccc2c1C[C@@H](C)N1CC(F)(F)COC1=O
InChIInChI=1S/2C22H31F3N2OSi.C22H32F2N2OSi.C21H29F3N2O2Si/c1-6-29(7-2,8-3)21-19(18-12-17(23)9-10-20(18)26-21)11-15(4)27-13-22(24,25)14-28-16(27)5;1-6-29(7-2,8-3)21-17(20-18(23)10-9-11-19(20)26-21)12-15(4)27-13-22(24,25)14-28-16(27)5;1-6-28(7-2,8-3)21-19(18-11-9-10-12-20(18)25-21)13-16(4)26-14-22(23,24)15-27-17(26)5;1-5-29(6-2,7-3)19-17(16-9-8-15(22)11-18(16)25-19)10-14(4)26-12-21(23,24)13-28-20(26)27/h9-10,12,15,26H,5-8,11,13-14H2,1-4H3;9-11,15,26H,5-8,12-14H2,1-4H3;9-12,16,25H,5-8,13-15H2,1-4H3;8-9,11,14,25H,5-7,10,12-13H2,1-4H3/t2*15-;16-;14-/m1111/s1
InChIKeyOYABTFPTZDPWCO-NYZDKRBYSA-N
XLogP21.08
TPSA130.11 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds28
Heavy Atoms115
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001682.31
LogP ≤ 521.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane with MolForge

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Related Compounds

tert-butyl (2S)-2-[[6-fluoro-2-[4-[6-fluoro-3-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl]-1H-indol-2-yl]phenyl]-1H-indol-3-yl]methyl]pyrrolidine-1-carboxylate
CID 57636625
2,2-difluoro-3-[[(2R)-1-(1H-indol-3-yl)propan-2-yl]amino]propan-1-ol;2,2-difluoro-3-[[(2R)-1-(2-trimethylsilyl-1H-indol-3-yl)propan-2-yl]amino]propan-1-ol;5,5-difluoro-3-[(2R)-1-(2-trimethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;ethanol;hydrochloride
CID 164121442
tert-butyl 4-[2-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]ethyl]piperazine-1-carboxylate;N-[2-(4,4-difluoropiperidin-1-yl)ethyl]-1-[3-(1H-indol-2-yl)phenyl]piperidin-4-amine;1-[3-(7-fluoro-1H-indol-2-yl)phenyl]-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]piperidin-4-amine;1-[3-(1H-indol-2-yl)phenyl]-N-(2-phenylethyl)piperidin-4-amine
CID 164994964
tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 5-tritio-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;ethane;5-tritio-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 160131446
tert-butyl 7-fluoro-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;tert-butyl 7-fluoro-1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;7-fluoro-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole;hydrochloride
CID 160287511
tert-butyl 1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;tert-butyl 5-tritio-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;ethane;methane;5-tritio-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 160505980
tert-butyl 1,3,4,9-tetrahydropyrido[3,4-b]indole-2-carboxylate;tert-butyl 9-tritio-3,4-dihydro-1H-pyrido[3,4-b]indole-2-carboxylate;ethane;9-tritio-1,2,3,4-tetrahydropyrido[3,4-b]indole
CID 161148712
tert-butyl 8-fluoro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate;tert-butyl 8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carboxylate;8-fluoro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole;phosphanylphosphane
CID 161391179
tert-butyl N-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]carbamate;triethyl-[4-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[5-fluoro-3-(2-methylpropyl)-1H-indol-2-yl]silane;triethyl-[3-(2-methylpropyl)-1H-indol-2-yl]silane
CID 163799387
tert-butyl N-[(2R)-1-(6-fluoro-2-methyl-1H-indol-3-yl)propan-2-yl]carbamate;4-fluoro-2-methyl-3-(2-methylpropyl)-1H-indole;5-fluoro-2-methyl-3-(2-methylpropyl)-1H-indole;2-methyl-3-(2-methylpropyl)-1H-indole
CID 164046246
3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanamide;N-[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]-N',N'-dimethylethane-1,2-diamine;methyl 3-[[1-[3-(5-fluoro-1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate;methyl 3-[[1-[3-(1H-indol-2-yl)phenyl]piperidin-4-yl]amino]propanoate
CID 165072608

Frequently Asked Questions

What is the IUPAC name of 5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane?
The IUPAC name of 5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane (CID 163855612) is 5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane.
What is the SMILES notation for 5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane?
The canonical SMILES for 5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane is C=C1OCC(F)(F)CN1[C@H](C)Cc1c([Si](CC)(CC)CC)[nH]c2ccc(F)cc12.C=C1OCC(F)(F)CN1[C@H](C)Cc1c([Si](CC)(CC)CC)[nH]c2cccc(F)c12.C=C1OCC(F)(F)CN1[C@H](C)Cc1c([Si](CC)(CC)CC)[nH]c2ccccc12.CC[Si](CC)(CC)c1[nH]c2cc(F)ccc2c1C[C@@H](C)N1CC(F)(F)COC1=O.
What is the InChIKey of 5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane?
The InChIKey is OYABTFPTZDPWCO-NYZDKRBYSA-N. The full InChI is InChI=1S/2C22H31F3N2OSi.C22H32F2N2OSi.C21H29F3N2O2Si/c1-6-29(7-2,8-3)21-19(18-12-17(23)9-10-20(18)26-21)11-15(4)27-13-22(24,25)14-28-16(27)5;1-6-29(7-2,8-3)21-17(20-18(23)10-9-11-19(20)26-21)12-15(4)27-13-22(24,25)14-28-16(27)5;1-6-28(7-2,8-3)21-19(18-11-9-10-12-20(18)25-21)13-16(4)26-14-22(23,24)15-27-17(26)5;1-5-29(6-2,7-3)19-17(16-9-8-15(22)11-18(16)25-19)10-14(4)26-12-21(23,24)13-28-20(26)27/h9-10,12,15,26H,5-8,11,13-14H2,1-4H3;9-11,15,26H,5-8,12-14H2,1-4H3;9-12,16,25H,5-8,13-15H2,1-4H3;8-9,11,14,25H,5-7,10,12-13H2,1-4H3/t2*15-;16-;14-/m1111/s1.
What are the key properties of 5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane?
5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane has a molecular weight of 1682.31 g/mol, XLogP of 21.08, 28 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-difluoro-3-[(2R)-1-(6-fluoro-2-triethylsilyl-1H-indol-3-yl)propan-2-yl]-1,3-oxazinan-2-one;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-4-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-5-fluoro-1H-indol-2-yl]-triethylsilane;[3-[(2R)-2-(5,5-difluoro-2-methylidene-1,3-oxazinan-3-yl)propyl]-1H-indol-2-yl]-triethylsilane is sourced from PubChem (CID 163855612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).