[2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane

C14H21BrF2OSi — CID 134967803

IUPAC[2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrF2OSi/c1-13(2,3)19(4,5)18-10-14(16,17)11-6-8-12(15)9-7-11/h6-9H,10H2,1-5H3
InChIKeyZXHNQSQVFFRUJY-UHFFFAOYSA-N
MW351.31 g/mol
LogP5.56
Rot. Bonds4

About [2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane

[2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane (PubChem CID 134967803) has the molecular formula C14H21BrF2OSi and a molecular weight of 351.31 g/mol. Its IUPAC name is [2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
PubChem CID134967803
Molecular FormulaC14H21BrF2OSi
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name[2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCC(F)(F)c1ccc(Br)cc1
InChIInChI=1S/C14H21BrF2OSi/c1-13(2,3)19(4,5)18-10-14(16,17)11-6-8-12(15)9-7-11/h6-9H,10H2,1-5H3
InChIKeyZXHNQSQVFFRUJY-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.31
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-Bromobenzyloxy)trimethylsilane
CID 598201
1-Bromo-4-(2-methoxyethyl)benzene
CID 21995717
[3-(3-Bromophenyl)propoxy](tert-butyl)dimethylsilane
CID 20346533
1,1,1-Trifluoro-2-(4-bromophenyl)-2-(trimethylsiloxy)ethane
CID 11427386
(3-Bromo-4-fluorophenyl)methoxy-tert-butyl-dimethylsilane
CID 20785462
((4-Bromo-3-fluorobenzyl)oxy)(tert-butyl)dimethylsilane
CID 57899966
[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
CID 71211635
[1-(4-Bromophenyl)-2,2-difluoroethenoxy]-trimethylsilane
CID 85820163
(4-Bromophenyl)methoxy-triethylsilane
CID 10756691
4-Bromobenzyloxy-tert-butyldimethylsilane
CID 10859583
(2-Bromobenzyloxy)tert-butyldimethylsilane
CID 13424900
1-Bromo-3-((((1,1-dimethylethyl)dimethylsilyl)oxy)methyl)benzene
CID 22033147

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane (CID 134967803) is [2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCC(F)(F)c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane?
The InChIKey is ZXHNQSQVFFRUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21BrF2OSi/c1-13(2,3)19(4,5)18-10-14(16,17)11-6-8-12(15)9-7-11/h6-9H,10H2,1-5H3.
What are the key properties of [2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane?
[2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane has a molecular weight of 351.31 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 134967803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).