[3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane

C10H12BrF3OSi — CID 167715732

IUPAC[3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane
SMILESC[Si](C)(C)Oc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H12BrF3OSi/c1-16(2,3)15-9-5-7(10(12,13)14)4-8(11)6-9/h4-6H,1-3H3
InChIKeyDAUDKXFZZPDLMX-UHFFFAOYSA-N
MW313.19 g/mol
LogP4.68
Rot. Bonds2

About [3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane

[3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane (PubChem CID 167715732) has the molecular formula C10H12BrF3OSi and a molecular weight of 313.19 g/mol. Its IUPAC name is [3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane.

Molecular Properties

Compound Name[3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane
PubChem CID167715732
Molecular FormulaC10H12BrF3OSi
Molecular Weight313.19 g/mol
Exact Mass311.98
IUPAC Name[3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane
SMILESC[Si](C)(C)Oc1cc(Br)cc(C(F)(F)F)c1
InChIInChI=1S/C10H12BrF3OSi/c1-16(2,3)15-9-5-7(10(12,13)14)4-8(11)6-9/h4-6H,1-3H3
InChIKeyDAUDKXFZZPDLMX-UHFFFAOYSA-N
XLogP4.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 54.68
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-3-(2-methylpropoxy)-5-(trifluoromethyl)benzene
CID 169336642
1-bromo-3-(difluoromethoxy)-5-(trifluoromethyl)benzene
CID 75365408
1-bromo-3-(trichloromethoxy)-5-(trifluoromethyl)benzene
CID 71669577
(3-bromo-5-chlorophenoxy)-trimethylsilane
CID 167725341
methyl N-[3-bromo-5-(trifluoromethyl)phenoxy]carbamate
CID 174346926
2-[3-bromo-5-(trifluoromethyl)phenoxy]-2-methylpropanamide
CID 165412307
2-[3-bromo-5-(trifluoromethyl)phenoxy]acetic acid
CID 154733834
2-[3-bromo-5-(trifluoromethyl)phenyl]propan-2-amine
CID 117111932
[3-[tert-butyl(dimethyl)silyl]oxy-5-(trifluoromethyl)phenyl]boronic acid
CID 167733874
3-bromo-N-propan-2-yl-5-(trifluoromethyl)aniline
CID 65491386
3-bromo-N-(1,1-dimethoxypropan-2-yl)-5-(trifluoromethyl)aniline
CID 65490001
1-bromo-3-tert-butyl-5-(difluoromethoxy)benzene
CID 164739424

Frequently Asked Questions

What is the IUPAC name of [3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane?
The IUPAC name of [3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane (CID 167715732) is [3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane.
What is the SMILES notation for [3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane?
The canonical SMILES for [3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane is C[Si](C)(C)Oc1cc(Br)cc(C(F)(F)F)c1.
What is the InChIKey of [3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane?
The InChIKey is DAUDKXFZZPDLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrF3OSi/c1-16(2,3)15-9-5-7(10(12,13)14)4-8(11)6-9/h4-6H,1-3H3.
What are the key properties of [3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane?
[3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane has a molecular weight of 313.19 g/mol, XLogP of 4.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-bromo-5-(trifluoromethyl)phenoxy]-trimethylsilane is sourced from PubChem (CID 167715732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).