[ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane

C22H32BFO4Si — CID 175318164

IUPAC[ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane
SMILESCCOC(Oc1cc(B2OC(C)(C)C(C)(C)O2)c2c(F)cccc2c1)[Si](C)(C)C
InChIInChI=1S/C22H32BFO4Si/c1-9-25-20(29(6,7)8)26-16-13-15-11-10-12-18(24)19(15)17(14-16)23-27-21(2,3)22(4,5)28-23/h10-14,20H,9H2,1-8H3
InChIKeyFEERPCTVOLALKU-UHFFFAOYSA-N
MW418.39 g/mol
LogP4.90
Rot. Bonds6

About [ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane

[ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane (PubChem CID 175318164) has the molecular formula C22H32BFO4Si and a molecular weight of 418.39 g/mol. Its IUPAC name is [ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane.

Molecular Properties

Compound Name[ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane
PubChem CID175318164
Molecular FormulaC22H32BFO4Si
Molecular Weight418.39 g/mol
Exact Mass418.21
IUPAC Name[ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane
SMILESCCOC(Oc1cc(B2OC(C)(C)C(C)(C)O2)c2c(F)cccc2c1)[Si](C)(C)C
InChIInChI=1S/C22H32BFO4Si/c1-9-25-20(29(6,7)8)26-16-13-15-11-10-12-18(24)19(15)17(14-16)23-27-21(2,3)22(4,5)28-23/h10-14,20H,9H2,1-8H3
InChIKeyFEERPCTVOLALKU-UHFFFAOYSA-N
XLogP4.90
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane?
The IUPAC name of [ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane (CID 175318164) is [ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane.
What is the SMILES notation for [ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane?
The canonical SMILES for [ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane is CCOC(Oc1cc(B2OC(C)(C)C(C)(C)O2)c2c(F)cccc2c1)[Si](C)(C)C.
What is the InChIKey of [ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane?
The InChIKey is FEERPCTVOLALKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32BFO4Si/c1-9-25-20(29(6,7)8)26-16-13-15-11-10-12-18(24)19(15)17(14-16)23-27-21(2,3)22(4,5)28-23/h10-14,20H,9H2,1-8H3.
What are the key properties of [ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane?
[ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane has a molecular weight of 418.39 g/mol, XLogP of 4.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [ethoxy-[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethyl]-trimethylsilane is sourced from PubChem (CID 175318164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).