3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane

C17H26BrF3O2Si — CID 177342781

IUPAC3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCOCc1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C17H26BrF3O2Si/c1-16(2,3)24(4,5)23-11-7-10-22-12-13-14(17(19,20)21)8-6-9-15(13)18/h6,8-9H,7,10-12H2,1-5H3
InChIKeyVNELDPDBOBGFSC-UHFFFAOYSA-N
MW427.38 g/mol
LogP6.40
Rot. Bonds7

About 3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane

3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane (PubChem CID 177342781) has the molecular formula C17H26BrF3O2Si and a molecular weight of 427.38 g/mol. Its IUPAC name is 3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane.

Molecular Properties

Compound Name3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane
PubChem CID177342781
Molecular FormulaC17H26BrF3O2Si
Molecular Weight427.38 g/mol
Exact Mass426.08
IUPAC Name3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCCCOCc1c(Br)cccc1C(F)(F)F
InChIInChI=1S/C17H26BrF3O2Si/c1-16(2,3)24(4,5)23-11-7-10-22-12-13-14(17(19,20)21)8-6-9-15(13)18/h6,8-9H,7,10-12H2,1-5H3
InChIKeyVNELDPDBOBGFSC-UHFFFAOYSA-N
XLogP6.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.38
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(butoxymethyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 91727031
2-(2-bromo-6-fluorophenoxy)ethoxy-tert-butyl-dimethylsilane
CID 58242265
(2-bromo-6-cyclopenta-2,4-dien-1-ylphenyl)methoxy-tert-butyl-dimethylsilane
CID 175064128
[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 119018838
2-(4-bromoindazol-1-yl)ethoxy-tert-butyl-dimethylsilane
CID 169069472
1-[2-bromo-6-(trifluoromethyl)phenyl]propan-2-one
CID 117450989
tert-butyl-[3-(2-chloro-6-fluorophenoxy)propoxy]-dimethylsilane
CID 141107768
2-bromoethoxy-tert-butyl-dimethylsilane;1-methyl-3-(trifluoromethyl)benzene
CID 162014884
(4S)-1-[5-[[2,6-bis(trifluoromethyl)phenyl]methoxy]pyrimidin-2-yl]-4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazolidin-2-one
CID 175982322
tert-butyl-[6-[tert-butyl(dimethyl)silyl]oxyhexoxy]-dimethylsilane
CID 6430202
tert-butyl-[5-[tert-butyl(dimethyl)silyl]oxypentoxy]-dimethylsilane
CID 529127
tert-butyl-[10-[tert-butyl(dimethyl)silyl]oxydecoxy]-dimethylsilane
CID 6430197

Frequently Asked Questions

What is the IUPAC name of 3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane?
The IUPAC name of 3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane (CID 177342781) is 3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane.
What is the SMILES notation for 3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane?
The canonical SMILES for 3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane is CC(C)(C)[Si](C)(C)OCCCOCc1c(Br)cccc1C(F)(F)F.
What is the InChIKey of 3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane?
The InChIKey is VNELDPDBOBGFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26BrF3O2Si/c1-16(2,3)24(4,5)23-11-7-10-22-12-13-14(17(19,20)21)8-6-9-15(13)18/h6,8-9H,7,10-12H2,1-5H3.
What are the key properties of 3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane?
3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane has a molecular weight of 427.38 g/mol, XLogP of 6.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-bromo-6-(trifluoromethyl)phenyl]methoxy]propoxy-tert-butyl-dimethylsilane is sourced from PubChem (CID 177342781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).