[4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane

C13H18BrF3O2Si — CID 167714340

IUPAC[4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Br)c(OC(F)(F)F)c1
InChIInChI=1S/C13H18BrF3O2Si/c1-12(2,3)20(4,5)19-9-6-7-10(14)11(8-9)18-13(15,16)17/h6-8H,1-5H3
InChIKeyUFNZIDCTLRBMSP-UHFFFAOYSA-N
MW371.27 g/mol
LogP5.73
Rot. Bonds3

About [4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane

[4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane (PubChem CID 167714340) has the molecular formula C13H18BrF3O2Si and a molecular weight of 371.27 g/mol. Its IUPAC name is [4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name[4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane
PubChem CID167714340
Molecular FormulaC13H18BrF3O2Si
Molecular Weight371.27 g/mol
Exact Mass370.02
IUPAC Name[4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)Oc1ccc(Br)c(OC(F)(F)F)c1
InChIInChI=1S/C13H18BrF3O2Si/c1-12(2,3)20(4,5)19-9-6-7-10(14)11(8-9)18-13(15,16)17/h6-8H,1-5H3
InChIKeyUFNZIDCTLRBMSP-UHFFFAOYSA-N
XLogP5.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.27
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl-[3-[tert-butyl(dimethyl)silyl]oxyphenoxy]-dimethylsilane
CID 15185639
4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyaniline
CID 167726664
4-bromo-3-(trifluoromethoxy)aniline
CID 14129198
1-bromo-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170998648
tert-butyl-dimethyl-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]silane
CID 59440862
[4-bromo-3-[1,8-dibromo-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-9,10-dihydroanthracen-9-yl]phenoxy]-tert-butyl-dimethylsilane
CID 140810437
4-[tert-butyl(dimethyl)silyl]oxy-2-(2,2,2-trifluoroethyl)aniline
CID 163375991
4-bromo-3-[tert-butyl(dimethyl)silyl]oxybenzaldehyde
CID 167732213
4-bromo-3-(trifluoromethoxy)benzaldehyde
CID 23497475
tert-butyl-(4-chloro-3-methylphenoxy)-dimethylsilane
CID 10777512
[[4-[tert-butyl(dimethyl)silyl]oxy-2-methoxyphenyl]-methoxymethylidene]chromium
CID 154709445
methyl 3-[2-[2,4-bis[[tert-butyl(dimethyl)silyl]oxy]phenyl]ethyl]-4-bromobenzoate
CID 140840729

Frequently Asked Questions

What is the IUPAC name of [4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane?
The IUPAC name of [4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane (CID 167714340) is [4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane.
What is the SMILES notation for [4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane?
The canonical SMILES for [4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)Oc1ccc(Br)c(OC(F)(F)F)c1.
What is the InChIKey of [4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane?
The InChIKey is UFNZIDCTLRBMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrF3O2Si/c1-12(2,3)20(4,5)19-9-6-7-10(14)11(8-9)18-13(15,16)17/h6-8H,1-5H3.
What are the key properties of [4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane?
[4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane has a molecular weight of 371.27 g/mol, XLogP of 5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-3-(trifluoromethoxy)phenoxy]-tert-butyl-dimethylsilane is sourced from PubChem (CID 167714340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).