[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane

C12H16BrF3OSi — CID 71211635

IUPAC[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C12H16BrF3OSi/c1-11(12(14,15)16,17-18(2,3)4)9-5-7-10(13)8-6-9/h5-8H,1-4H3
InChIKeyKPZYSGBPTAAYPZ-UHFFFAOYSA-N
MW341.24 g/mol
LogP5.08
Rot. Bonds3

About [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane

[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane (PubChem CID 71211635) has the molecular formula C12H16BrF3OSi and a molecular weight of 341.24 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
PubChem CID71211635
Molecular FormulaC12H16BrF3OSi
Molecular Weight341.24 g/mol
Exact Mass340.01
IUPAC Name[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane
SMILESCC(O[Si](C)(C)C)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C12H16BrF3OSi/c1-11(12(14,15)16,17-18(2,3)4)9-5-7-10(13)8-6-9/h5-8H,1-4H3
InChIKeyKPZYSGBPTAAYPZ-UHFFFAOYSA-N
XLogP5.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.24
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
The IUPAC name of [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane (CID 71211635) is [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane is CC(O[Si](C)(C)C)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
The InChIKey is KPZYSGBPTAAYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF3OSi/c1-11(12(14,15)16,17-18(2,3)4)9-5-7-10(13)8-6-9/h5-8H,1-4H3.
What are the key properties of [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane?
[2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane has a molecular weight of 341.24 g/mol, XLogP of 5.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-1,1,1-trifluoropropan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 71211635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).