[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane

C23H37BFNO2Si — CID 146012630

IUPAC[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B3OC(C)(C)C(C)(C)O3)c(F)ccc21
InChIInChI=1S/C23H37BFNO2Si/c1-15(2)29(16(3)4,17(5)6)26-14-13-18-20(26)12-11-19(25)21(18)24-27-22(7,8)23(9,10)28-24/h11-17H,1-10H3
InChIKeyWHLLLRUSMSVCKW-UHFFFAOYSA-N
MW417.45 g/mol
LogP6.10
Rot. Bonds5

About [5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane

[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane (PubChem CID 146012630) has the molecular formula C23H37BFNO2Si and a molecular weight of 417.45 g/mol. Its IUPAC name is [5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane
PubChem CID146012630
Molecular FormulaC23H37BFNO2Si
Molecular Weight417.45 g/mol
Exact Mass417.27
IUPAC Name[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane
SMILESCC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B3OC(C)(C)C(C)(C)O3)c(F)ccc21
InChIInChI=1S/C23H37BFNO2Si/c1-15(2)29(16(3)4,17(5)6)26-14-13-18-20(26)12-11-19(25)21(18)24-27-22(7,8)23(9,10)28-24/h11-17H,1-10H3
InChIKeyWHLLLRUSMSVCKW-UHFFFAOYSA-N
XLogP6.10
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.45
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?
The IUPAC name of [5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane (CID 146012630) is [5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane.
What is the SMILES notation for [5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?
The canonical SMILES for [5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane is CC(C)[Si](C(C)C)(C(C)C)n1ccc2c(B3OC(C)(C)C(C)(C)O3)c(F)ccc21.
What is the InChIKey of [5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?
The InChIKey is WHLLLRUSMSVCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37BFNO2Si/c1-15(2)29(16(3)4,17(5)6)26-14-13-18-20(26)12-11-19(25)21(18)24-27-22(7,8)23(9,10)28-24/h11-17H,1-10H3.
What are the key properties of [5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane?
[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane has a molecular weight of 417.45 g/mol, XLogP of 6.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indol-1-yl]-tri(propan-2-yl)silane is sourced from PubChem (CID 146012630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).