2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one

C135H192BF8N9O18SSi4 — CID 158216828

About 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one

2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one (PubChem CID 158216828) has the molecular formula C135H192BF8N9O18SSi4 and a molecular weight of 2536.27 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one
• PubChem CID: 158216828
• Molecular Formula: C135H192BF8N9O18SSi4
• Molecular Weight: 2536.27 g/mol
• Exact Mass: 2534.31
• IUPAC Name: 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one
• SMILES: CC(C)(C)[Si](C)(C)OC(CF)COc1ccc2ccc(=O)[nH]c2c1.CC(C)(C)[Si](C)(C)OC(CF)COc1ccc2ccc(OS(=O)(=O)C(F)(F)F)nc2c1.CC(C)(C)[Si](C)(C)OC(CO)CF.CCN(CC)c1ccc(-c2ccc3ccc(OCC(CF)O[Si](C)(C)C(C)(C)C)cc3n2)cc1.CCN(CC)c1ccc(-c2ccc3ccc(OCC(O)CF)cc3n2)cc1.CCN(CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1.O=c1ccc2ccc(O)cc2[nH]1
• InChI: InChI=1S/C28H39FN2O2Si.C22H25FN2O2.C19H25F4NO5SSi.C18H26FNO3Si.C16H26BNO2.C14H23N.C9H21FO2Si.C9H7NO2/c1-8-31(9-2)23-14-10-21(11-15-23)26-17-13-22-12-16-24(18-27(22)30-26)32-20-25(19-29)33-34(6,7)28(3,4)5;1-3-25(4-2)18-9-5-16(6-10-18)21-12-8-17-7-11-20(13-22(17)24-21)27-15-19(26)14-23;1-18(2,3)31(4,5)29-15(11-20)12-27-14-8-6-13-7-9-17(24-16(13)10-14)28-30(25,26)19(21,22)23;1-18(2,3)24(4,5)23-15(11-19)12-22-14-8-6-13-7-9-17(21)20-16(13)10-14;1-7-18(8-2)14-11-9-13(10-12-14)17-19-15(3,4)16(5,6)20-17;1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7;1-9(2,3)13(4,5)12-8(6-10)7-11;11-7-3-1-6-2-4-9(12)10-8(6)5-7/h10-18,25H,8-9,19-20H2,1-7H3;5-13,19,26H,3-4,14-15H2,1-2H3;6-10,15H,11-12H2,1-5H3;6-10,15H,11-12H2,1-5H3,(H,20,21);9-12H,7-8H2,1-6H3;8-9H,1-7H3;8,11H,6-7H2,1-5H3;1-5,11H,(H,10,12)
• InChIKey: GCTHSBUKDPQFMJ-UHFFFAOYSA-N
• XLogP: 31.80
• TPSA: 323.36 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 40
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2536.27
LogP ≤ 5	31.80
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one?

The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one (CID 158216828) is 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one.

What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one?

The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one is CC(C)(C)[Si](C)(C)OC(CF)COc1ccc2ccc(=O)[nH]c2c1.CC(C)(C)[Si](C)(C)OC(CF)COc1ccc2ccc(OS(=O)(=O)C(F)(F)F)nc2c1.CC(C)(C)[Si](C)(C)OC(CO)CF.CCN(CC)c1ccc(-c2ccc3ccc(OCC(CF)O[Si](C)(C)C(C)(C)C)cc3n2)cc1.CCN(CC)c1ccc(-c2ccc3ccc(OCC(O)CF)cc3n2)cc1.CCN(CC)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.Cc1cc(C(C)(C)C)nc(C(C)(C)C)c1.O=c1ccc2ccc(O)cc2[nH]1.

What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one?

The InChIKey is GCTHSBUKDPQFMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39FN2O2Si.C22H25FN2O2.C19H25F4NO5SSi.C18H26FNO3Si.C16H26BNO2.C14H23N.C9H21FO2Si.C9H7NO2/c1-8-31(9-2)23-14-10-21(11-15-23)26-17-13-22-12-16-24(18-27(22)30-26)32-20-25(19-29)33-34(6,7)28(3,4)5;1-3-25(4-2)18-9-5-16(6-10-18)21-12-8-17-7-11-20(13-22(17)24-21)27-15-19(26)14-23;1-18(2,3)31(4,5)29-15(11-20)12-27-14-8-6-13-7-9-17(24-16(13)10-14)28-30(25,26)19(21,22)23;1-18(2,3)24(4,5)23-15(11-19)12-22-14-8-6-13-7-9-17(21)20-16(13)10-14;1-7-18(8-2)14-11-9-13(10-12-14)17-19-15(3,4)16(5,6)20-17;1-10-8-11(13(2,3)4)15-12(9-10)14(5,6)7;1-9(2,3)13(4,5)12-8(6-10)7-11;11-7-3-1-6-2-4-9(12)10-8(6)5-7/h10-18,25H,8-9,19-20H2,1-7H3;5-13,19,26H,3-4,14-15H2,1-2H3;6-10,15H,11-12H2,1-5H3;6-10,15H,11-12H2,1-5H3,(H,20,21);9-12H,7-8H2,1-6H3;8-9H,1-7H3;8,11H,6-7H2,1-5H3;1-5,11H,(H,10,12).

What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one?

2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one has a molecular weight of 2536.27 g/mol, XLogP of 31.80, 40 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropan-1-ol;7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]-1H-quinolin-2-one;4-[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl]-N,N-diethylaniline;[7-[2-[tert-butyl(dimethyl)silyl]oxy-3-fluoropropoxy]quinolin-2-yl] trifluoromethanesulfonate;2,6-ditert-butyl-4-methylpyridine;1-[2-[4-(diethylamino)phenyl]quinolin-7-yl]oxy-3-fluoropropan-2-ol;N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline;7-hydroxy-1H-quinolin-2-one is sourced from PubChem (CID 158216828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).