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

C14H20BrF3OSi — CID 140747352

IUPAC[2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane
SMILESCCCC(O[Si](C)(C)C)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C14H20BrF3OSi/c1-5-10-13(14(16,17)18,19-20(2,3)4)11-6-8-12(15)9-7-11/h6-9H,5,10H2,1-4H3
InChIKeyMRPYXAWJBCJSOF-UHFFFAOYSA-N
MW369.30 g/mol
LogP5.86
Rot. Bonds5

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

[2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane (PubChem CID 140747352) has the molecular formula C14H20BrF3OSi and a molecular weight of 369.30 g/mol. Its IUPAC name is [2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane
PubChem CID140747352
Molecular FormulaC14H20BrF3OSi
Molecular Weight369.30 g/mol
Exact Mass368.04
IUPAC Name[2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane
SMILESCCCC(O[Si](C)(C)C)(c1ccc(Br)cc1)C(F)(F)F
InChIInChI=1S/C14H20BrF3OSi/c1-5-10-13(14(16,17)18,19-20(2,3)4)11-6-8-12(15)9-7-11/h6-9H,5,10H2,1-4H3
InChIKeyMRPYXAWJBCJSOF-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.30
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze [2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane?
The IUPAC name of [2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane (CID 140747352) is [2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane?
The canonical SMILES for [2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane is CCCC(O[Si](C)(C)C)(c1ccc(Br)cc1)C(F)(F)F.
What is the InChIKey of [2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane?
The InChIKey is MRPYXAWJBCJSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrF3OSi/c1-5-10-13(14(16,17)18,19-20(2,3)4)11-6-8-12(15)9-7-11/h6-9H,5,10H2,1-4H3.
What are the key properties of [2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane?
[2-(4-bromophenyl)-1,1,1-trifluoropentan-2-yl]oxy-trimethylsilane has a molecular weight of 369.30 g/mol, XLogP of 5.86, 5 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-trifluoropentan-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 140747352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).