tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane

C95H108F14N6O14Si2 — CID 158361881

About tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane

tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane (PubChem CID 158361881) has the molecular formula C95H108F14N6O14Si2 and a molecular weight of 1880.08 g/mol. Its IUPAC name is tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane.

Molecular Properties

• Compound Name: tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane
• PubChem CID: 158361881
• Molecular Formula: C95H108F14N6O14Si2
• Molecular Weight: 1880.08 g/mol
• Exact Mass: 1878.72
• IUPAC Name: tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane
• SMILES: C.C.C.C.C.C.C.CC(C)(C)OC(=O)Oc1ccc(F)c(C=O)c1F.CC(C)(C)[Si](C)(C)Oc1ccc(F)c(C=O)c1F.CC(C)(C)[Si](C)(C)Oc1ccc(F)cc1F.O=C(c1c(F)ccc(O)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1c(F)ccc(O)c1F.Oc1ccc(F)c(C(O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.Oc1ccc(F)cc1F
• InChI: InChI=1S/C19H13F2N3O2.C19H11F2N3O2.C13H18F2O2Si.C12H12F2O4.C12H18F2OSi.C7H4F2O2.C6H4F2O.7CH4/c2*20-14-3-4-15(25)17(21)16(14)18(26)13-9-24-19-12(13)6-11(8-23-19)10-2-1-5-22-7-10;1-13(2,3)18(4,5)17-11-7-6-10(14)9(8-16)12(11)15;1-12(2,3)18-11(16)17-9-5-4-8(13)7(6-15)10(9)14;1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14;8-5-1-2-6(11)7(9)4(5)3-10;7-4-1-2-6(9)5(8)3-4;;;;;;;/h1-9,18,25-26H,(H,23,24);1-9,25H,(H,23,24);6-8H,1-5H3;4-6H,1-3H3;6-8H,1-5H3;1-3,11H;1-3,9H;7*1H4
• InChIKey: GTONPNOUJDMSEO-UHFFFAOYSA-N
• XLogP: 26.74
• TPSA: 306.56 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1880.08
LogP ≤ 5	26.74
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane?

The IUPAC name of tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane (CID 158361881) is tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane.

What is the SMILES notation for tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane?

The canonical SMILES for tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane is C.C.C.C.C.C.C.CC(C)(C)OC(=O)Oc1ccc(F)c(C=O)c1F.CC(C)(C)[Si](C)(C)Oc1ccc(F)c(C=O)c1F.CC(C)(C)[Si](C)(C)Oc1ccc(F)cc1F.O=C(c1c(F)ccc(O)c1F)c1c[nH]c2ncc(-c3cccnc3)cc12.O=Cc1c(F)ccc(O)c1F.Oc1ccc(F)c(C(O)c2c[nH]c3ncc(-c4cccnc4)cc23)c1F.Oc1ccc(F)cc1F.

What is the InChIKey of tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane?

The InChIKey is GTONPNOUJDMSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2.C19H11F2N3O2.C13H18F2O2Si.C12H12F2O4.C12H18F2OSi.C7H4F2O2.C6H4F2O.7CH4/c2*20-14-3-4-15(25)17(21)16(14)18(26)13-9-24-19-12(13)6-11(8-23-19)10-2-1-5-22-7-10;1-13(2,3)18(4,5)17-11-7-6-10(14)9(8-16)12(11)15;1-12(2,3)18-11(16)17-9-5-4-8(13)7(6-15)10(9)14;1-12(2,3)16(4,5)15-11-7-6-9(13)8-10(11)14;8-5-1-2-6(11)7(9)4(5)3-10;7-4-1-2-6(9)5(8)3-4;;;;;;;/h1-9,18,25-26H,(H,23,24);1-9,25H,(H,23,24);6-8H,1-5H3;4-6H,1-3H3;6-8H,1-5H3;1-3,11H;1-3,9H;7*1H4.

What are the key properties of tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane?

tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane has a molecular weight of 1880.08 g/mol, XLogP of 26.74, 14 rotatable bonds, 7 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2,4-difluoro-3-formylphenyl) carbonate;tert-butyl-(2,4-difluorophenoxy)-dimethylsilane;3-[tert-butyl(dimethyl)silyl]oxy-2,6-difluorobenzaldehyde;2,6-difluoro-3-hydroxybenzaldehyde;(2,6-difluoro-3-hydroxyphenyl)-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone;2,4-difluoro-3-[hydroxy-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]phenol;2,4-difluorophenol;methane is sourced from PubChem (CID 158361881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).