[4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane

C18H28BrF3OSi — CID 58026128

IUPAC[4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(CC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C18H28BrF3OSi/c1-16(2,3)24(6,7)23-15(18(20,21)22)12-17(4,5)13-10-8-9-11-14(13)19/h8-11,15H,12H2,1-7H3
InChIKeyDAGWJWDJMWIBAZ-UHFFFAOYSA-N
MW425.41 g/mol
LogP7.07
Rot. Bonds5

About [4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane

[4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane (PubChem CID 58026128) has the molecular formula C18H28BrF3OSi and a molecular weight of 425.41 g/mol. Its IUPAC name is [4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane
PubChem CID58026128
Molecular FormulaC18H28BrF3OSi
Molecular Weight425.41 g/mol
Exact Mass424.10
IUPAC Name[4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane
SMILESCC(C)(CC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1ccccc1Br
InChIInChI=1S/C18H28BrF3OSi/c1-16(2,3)24(6,7)23-15(18(20,21)22)12-17(4,5)13-10-8-9-11-14(13)19/h8-11,15H,12H2,1-7H3
InChIKeyDAGWJWDJMWIBAZ-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.41
LogP ≤ 57.07
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

1-Bromo-2-(tert-butyldimethylsilyloxy)-3,3-difluoro-5-phenyl-1-cyclopentene
CID 122389928
2-(tert-Butyldimethylsilyloxy)-4,4-difluoro-5-(4-bromophenyl)-1-cyclopentene
CID 122389931
[2-(4-Bromophenyl)-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
CID 134967803
3-(2-Bromo-4-fluorophenyl)propoxy-(2,3-dimethylbutan-2-yl)-dimethylsilane
CID 12044712
3-(2-Bromo-4-fluorophenyl)propoxy-tert-butyl-dimethylsilane
CID 12098340
4-(2-Bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-ol
CID 58026159
{[3-(3-Bromo-4-fluorophenyl)but-3-en-1-yl]oxy}(tert-butyl)dimethylsilane
CID 66671495
[2-[4-(4-Bromophenyl)phenyl]-2,2-difluoroethoxy]-tert-butyl-dimethylsilane
CID 68193237
1-(2-Bromo-4-fluorophenyl)prop-2-enoxy-tert-butyl-dimethylsilane
CID 69671664
1-(2-Bromo-5-fluorophenyl)prop-2-enoxy-tert-butyl-dimethylsilane
CID 69671697
1-(2-Bromo-6-fluorophenyl)prop-2-enoxy-tert-butyl-dimethylsilane
CID 69671917
1-(2-Bromo-3-fluorophenyl)prop-2-enoxy-tert-butyl-dimethylsilane
CID 69672333

Frequently Asked Questions

What is the IUPAC name of [4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane?
The IUPAC name of [4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane (CID 58026128) is [4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane?
The canonical SMILES for [4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane is CC(C)(CC(O[Si](C)(C)C(C)(C)C)C(F)(F)F)c1ccccc1Br.
What is the InChIKey of [4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane?
The InChIKey is DAGWJWDJMWIBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrF3OSi/c1-16(2,3)24(6,7)23-15(18(20,21)22)12-17(4,5)13-10-8-9-11-14(13)19/h8-11,15H,12H2,1-7H3.
What are the key properties of [4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane?
[4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane has a molecular weight of 425.41 g/mol, XLogP of 7.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-bromophenyl)-1,1,1-trifluoro-4-methylpentan-2-yl]oxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 58026128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).