2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane

C14H22BrFO2Si — CID 58242265

IUPAC2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1c(F)cccc1Br
InChIInChI=1S/C14H22BrFO2Si/c1-14(2,3)19(4,5)18-10-9-17-13-11(15)7-6-8-12(13)16/h6-8H,9-10H2,1-5H3
InChIKeyFZQYDCMSOUTNTH-UHFFFAOYSA-N
MW349.32 g/mol
LogP4.99
Rot. Bonds5

About 2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane

2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane (PubChem CID 58242265) has the molecular formula C14H22BrFO2Si and a molecular weight of 349.32 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
PubChem CID58242265
Molecular FormulaC14H22BrFO2Si
Molecular Weight349.32 g/mol
Exact Mass348.06
IUPAC Name2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCOc1c(F)cccc1Br
InChIInChI=1S/C14H22BrFO2Si/c1-14(2,3)19(4,5)18-10-9-17-13-11(15)7-6-8-12(13)16/h6-8H,9-10H2,1-5H3
InChIKeyFZQYDCMSOUTNTH-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.32
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane
CID 141107768
2-[(5-bromo-3-fluoro-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 178175998
tert-butyl-(2-ethyl-6-fluorophenoxy)-dimethylsilane
CID 90310844
2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane
CID 169069472
tert-butyl-dimethyl-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]silane
CID 18346510
tert-butyl-dimethyl-[2-(4-propoxyphenoxy)ethoxy]silane
CID 22032995
tert-butyl-[2-(4-chloro-2-fluorophenyl)-2-(2,6-dibromophenoxy)ethoxy]-dimethylsilane
CID 167433936
tert-butyl-[2-[2,4-difluoro-3-(3-fluoro-2-pyridinyl)phenoxy]ethoxy]-dimethylsilane
CID 141341558
(5-bromoisoquinolin-1-yl)methoxy-tert-butyl-dimethylsilane;iodoform
CID 123574370
2-bromo-4-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-3-fluorobenzonitrile
CID 168990714
N-[2-(2,6-dibromophenoxy)ethyl]-2-methylpropan-2-amine
CID 61385418
2-[(3-bromo-5-methyl-2-pyridinyl)oxy]ethoxy-tert-butyl-dimethylsilane
CID 163767942

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane?
The IUPAC name of 2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane (CID 58242265) is 2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCOc1c(F)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane?
The InChIKey is FZQYDCMSOUTNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrFO2Si/c1-14(2,3)19(4,5)18-10-9-17-13-11(15)7-6-8-12(13)16/h6-8H,9-10H2,1-5H3.
What are the key properties of 2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane?
2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane has a molecular weight of 349.32 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 58242265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).