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

C22H32BFO4Si — CID 164521608

IUPAC2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCC1(C)OB(c2cc(OCOCC[Si](C)(C)C)cc3cccc(F)c23)OC1(C)C
InChIInChI=1S/C22H32BFO4Si/c1-21(2)22(3,4)28-23(27-21)18-14-17(26-15-25-11-12-29(5,6)7)13-16-9-8-10-19(24)20(16)18/h8-10,13-14H,11-12,15H2,1-7H3
InChIKeyUITLHJSCIBHOMQ-UHFFFAOYSA-N
MW418.39 g/mol
LogP4.97
Rot. Bonds7

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

2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane (PubChem CID 164521608) has the molecular formula C22H32BFO4Si and a molecular weight of 418.39 g/mol. Its IUPAC name is 2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane.

Molecular Properties

Compound Name2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
PubChem CID164521608
Molecular FormulaC22H32BFO4Si
Molecular Weight418.39 g/mol
Exact Mass418.21
IUPAC Name2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane
SMILESCC1(C)OB(c2cc(OCOCC[Si](C)(C)C)cc3cccc(F)c23)OC1(C)C
InChIInChI=1S/C22H32BFO4Si/c1-21(2)22(3,4)28-23(27-21)18-14-17(26-15-25-11-12-29(5,6)7)13-16-9-8-10-19(24)20(16)18/h8-10,13-14H,11-12,15H2,1-7H3
InChIKeyUITLHJSCIBHOMQ-UHFFFAOYSA-N
XLogP4.97
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.39
LogP ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?
The IUPAC name of 2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane (CID 164521608) is 2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane.
What is the SMILES notation for 2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?
The canonical SMILES for 2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane is CC1(C)OB(c2cc(OCOCC[Si](C)(C)C)cc3cccc(F)c23)OC1(C)C.
What is the InChIKey of 2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?
The InChIKey is UITLHJSCIBHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32BFO4Si/c1-21(2)22(3,4)28-23(27-21)18-14-17(26-15-25-11-12-29(5,6)7)13-16-9-8-10-19(24)20(16)18/h8-10,13-14H,11-12,15H2,1-7H3.
What are the key properties of 2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane?
2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane has a molecular weight of 418.39 g/mol, XLogP of 4.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-2-yl]oxymethoxy]ethyl-trimethylsilane is sourced from PubChem (CID 164521608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).