1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane

C16H24BrF3OSi — CID 162516525

IUPAC1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(Cc1ccc(Br)cc1C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H24BrF3OSi/c1-11(21-22(5,6)15(2,3)4)9-12-7-8-13(17)10-14(12)16(18,19)20/h7-8,10-11H,9H2,1-6H3
InChIKeySJCQOHJGFFAGQN-UHFFFAOYSA-N
MW397.35 g/mol
LogP6.42
Rot. Bonds4

About 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane

1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane (PubChem CID 162516525) has the molecular formula C16H24BrF3OSi and a molecular weight of 397.35 g/mol. Its IUPAC name is 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane
PubChem CID162516525
Molecular FormulaC16H24BrF3OSi
Molecular Weight397.35 g/mol
Exact Mass396.07
IUPAC Name1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane
SMILESCC(Cc1ccc(Br)cc1C(F)(F)F)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H24BrF3OSi/c1-11(21-22(5,6)15(2,3)4)9-12-7-8-13(17)10-14(12)16(18,19)20/h7-8,10-11H,9H2,1-6H3
InChIKeySJCQOHJGFFAGQN-UHFFFAOYSA-N
XLogP6.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.35
LogP ≤ 56.42
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

[3-(3-Bromophenyl)propoxy](tert-butyl)dimethylsilane
CID 20346533
1,1,1-Trifluoro-2-(4-bromophenyl)-2-(trimethylsiloxy)ethane
CID 11427386
[2-(4-Bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
CID 71211635
2-(tert-Butyldimethylsilyloxy)-4,4-difluoro-5-(4-bromophenyl)-1-cyclopentene
CID 122389931
[2-(4-Bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
CID 134967803
[1-(4-Bromophenyl)-2,2,3,3,3-pentafluoropropoxy]-trimethylsilane
CID 166445362
1-(3-Bromo-4-fluorophenyl)ethoxy-tert-butyl-dimethylsilane
CID 20785308
(2-(3-Bromophenyl)-2-fluoroethoxy)(tert-butyl)dimethylsilane
CID 57989324
[3-(2-Bromophenyl)-3-methyl-1-trifluoromethylbutoxy]-tert-butyldimethylsilane
CID 58026128
1-(5-Bromo-2,4-difluorophenyl)propoxy-tert-butyl-dimethylsilane
CID 59295861
(4-Bromo-3-fluoro-benzyloxy)-triisopropyl-silane
CID 59704566
[(1S)-1-(3-bromo-4-fluorophenyl)ethoxy]-tert-butyl-dimethylsilane
CID 60003820

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane?
The IUPAC name of 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane (CID 162516525) is 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane?
The canonical SMILES for 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane is CC(Cc1ccc(Br)cc1C(F)(F)F)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane?
The InChIKey is SJCQOHJGFFAGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrF3OSi/c1-11(21-22(5,6)15(2,3)4)9-12-7-8-13(17)10-14(12)16(18,19)20/h7-8,10-11H,9H2,1-6H3.
What are the key properties of 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane?
1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane has a molecular weight of 397.35 g/mol, XLogP of 6.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(trifluoromethyl)phenyl]propan-2-yloxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 162516525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).